 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer01_STD_B3LYPDBJ_def2SVPD.in
 Output=31_naproxen_conformer01_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-71725.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     71726.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer01_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:42:52 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.701650000000      0.861049000000     -0.150441000000
  C                                                -1.142583000000     -0.492061000000     -0.146036000000
  C                                                 0.680291000000      1.135563000000     -0.261208000000
  C                                                 1.611358000000      0.129451000000     -0.370251000000
  C                                                 1.162418000000     -1.214398000000     -0.360965000000
  C                                                -0.168407000000     -1.514023000000     -0.252411000000
  C                                                -1.673067000000      1.886980000000     -0.044418000000
  H                                                 1.002631000000      2.171223000000     -0.269064000000
  H                                                 1.887775000000     -2.015222000000     -0.432725000000
  H                                                -0.492297000000     -2.547618000000     -0.243597000000
  C                                                 3.089483000000      0.433563000000     -0.483088000000
  C                                                 3.712284000000     -0.066300000000     -1.786151000000
  C                                                 3.873459000000     -0.077627000000      0.733351000000
  H                                                 3.203190000000      1.522932000000     -0.441764000000
  H                                                 4.768168000000      0.193895000000     -1.827559000000
  H                                                 3.198059000000      0.378934000000     -2.637902000000
  H                                                 3.635566000000     -1.150409000000     -1.866576000000
  O                                                 4.972607000000     -0.550358000000      0.679433000000
  O                                                 3.255984000000      0.083411000000      1.926913000000
  H                                                 2.348270000000      0.392671000000      1.784838000000
  C                                                -3.000863000000      1.591354000000      0.061295000000
  C                                                -3.436799000000      0.243260000000      0.067154000000
  C                                                -2.523995000000     -0.780170000000     -0.034789000000
  O                                                -4.779617000000      0.081304000000      0.178247000000
  C                                                -5.294817000000     -1.239834000000      0.194020000000
  H                                                -1.347302000000      2.919928000000     -0.048267000000
  H                                                -3.748933000000      2.368268000000      0.142782000000
  H                                                -2.835427000000     -1.814402000000     -0.032567000000
  H                                                -5.057543000000     -1.768200000000     -0.733736000000
  H                                                -6.373003000000     -1.140865000000      0.289516000000
  H                                                -4.903616000000     -1.806841000000      1.043513000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:42:53 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.423147   0.000000
     3  C    1.413290   2.446486   0.000000
     4  C    2.435890   2.832091   1.375150   0.000000
     5  C    2.797597   2.425076   2.400982   1.416885   0.000000
     6  C    2.436332   1.415889   2.782206   2.425378   1.368450
     7  C    1.416837   2.439585   2.479903   3.739321   4.214110
     8  H    2.152952   3.422011   1.084692   2.132984   3.390635
     9  H    3.880431   3.403716   3.378592   2.163315   1.082872
    10  H    3.416360   2.158172   3.865371   3.407067   2.128223
    11  C    3.829633   4.345200   2.519175   1.513298   2.538556
    12  C    4.797743   5.142080   3.600404   2.541059   3.138646
    13  C    4.753296   5.109379   3.557710   2.525454   3.136801
    14  H    3.971238   4.799312   2.558842   2.116798   3.415297
    15  H    5.759924   6.183448   4.477827   3.477549   4.139519
    16  H    4.650551   5.080276   3.544054   2.778867   3.444849
    17  H    5.079619   5.120975   4.066513   2.823907   2.896104
    18  O    5.905756   6.170928   4.706497   3.586359   4.005111
    19  O    4.536848   4.896496   3.539646   2.825575   3.361802
    20  H    3.642347   4.086206   2.742325   2.292757   2.931448
    21  C    2.421685   2.799430   3.723258   4.857569   5.038200
    22  C    2.812481   2.418589   4.225453   5.068349   4.843640
    23  C    2.455182   1.415515   3.740153   4.247480   3.726203
    24  O    4.164835   3.696204   5.578098   6.414650   6.105520
    25  C    5.062563   4.232712   6.446058   7.063186   6.481091
    26  H    2.160159   3.419523   2.709324   4.079719   4.846558
    27  H    3.412275   3.880458   4.615278   5.831657   6.100051
    28  H    3.424169   2.151089   4.595089   4.864822   4.055936
    29  H    5.121229   4.159427   6.448090   6.943158   6.255683
    30  H    6.030379   5.288473   7.431983   8.111659   7.563802
    31  H    5.118562   4.158009   6.445158   6.942106   6.254624
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724793   0.000000
     8  H    3.866865   2.700115   0.000000
     9  H    2.124052   5.296939   4.282124   0.000000
    10  H    1.083190   4.593425   4.950042   2.446213   0.000000
    11  C    3.802650   4.998673   2.724008   2.728220   4.666256
    12  C    4.416789   5.987566   3.827569   2.993141   5.120050
    13  C    4.401323   5.935365   3.782039   3.009476   5.110294
    14  H    4.541654   4.905945   2.300558   3.774776   5.501388
    15  H    5.455992   6.894609   4.529680   3.888756   6.139814
    16  H    4.539488   5.720859   3.693724   3.508794   5.283572
    17  H    4.148247   6.381816   4.529639   2.420455   4.650323
    18  O    5.312910   7.115445   4.905849   3.591505   5.891197
    19  O    4.362075   5.606652   3.776092   3.441533   5.067843
    20  H    3.757596   4.663720   3.031914   3.305691   4.563844
    21  C    4.214805   1.364409   4.058737   6.095099   4.849428
    22  C    3.724587   2.413507   4.851662   5.805317   4.068864
    23  C    2.476832   2.799618   4.604639   4.598633   2.700976
    24  O    4.898346   3.600097   6.164596   7.015898   5.046810
    25  C    5.153112   4.790709   7.176880   7.251459   4.996599
    26  H    4.592536   1.083106   2.476186   5.913479   5.537440
    27  H    5.296086   2.139136   4.773448   7.163705   5.909391
    28  H    2.692871   3.879620   5.538215   4.744375   2.464224
    29  H    4.919342   5.028934   7.242975   6.956225   4.657166
    30  H    6.239386   5.600782   8.104438   8.338260   6.070080
    31  H    4.918065   5.026366   7.240967   6.953107   4.654582
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528305   0.000000
    13  C    1.534815   2.524677   0.000000
    14  H    1.096067   2.142945   2.095697   0.000000
    15  H    2.164030   1.088259   2.726259   2.477080   0.000000
    16  H    2.158239   1.090019   3.468423   2.476243   1.776552
    17  H    2.172835   1.089792   2.822601   3.060031   1.758256
    18  O    2.421923   2.811020   1.197710   2.947279   2.623112
    19  O    2.440990   3.743991   1.353440   2.772298   4.049070
    20  H    2.386327   3.850085   1.911284   2.639344   4.352566
    21  C    6.223275   7.157319   7.105875   6.224791   8.116557
    22  C    6.552201   7.391884   7.347561   6.781299   8.421037
    23  C    5.760664   6.516752   6.481591   6.186320   7.572217
    24  O    7.904694   8.717398   8.672319   8.135595   9.756851
    25  C    8.576434   9.296565   9.257369   8.958416  10.363688
    26  H    5.104522   6.126762   6.070635   4.776339   6.927922
    27  H    7.134335   8.081934   8.026957   7.027681   9.008393
    28  H    6.353021   7.000245   6.972243   6.911594   8.066592
    29  H    8.443022   8.995216   9.207235   8.896994  10.079229
    30  H    9.623637  10.352589  10.311035   9.966647  11.418813
    31  H    8.440353   9.234187   8.951169   8.888967  10.285398
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767837   0.000000
    18  O    3.875218   2.937669   0.000000
    19  O    4.574738   4.007113   2.214648   0.000000
    20  H    4.503661   4.167859   2.999728   0.969418   0.000000
    21  C    6.868934   7.434793   8.279206   6.700937   5.746361
    22  C    7.166385   7.463241   8.468933   6.948208   6.036538
    23  C    6.392310   6.436825   7.534054   6.164593   5.331563
    24  O    8.465376   8.747212   9.785502   8.223668   7.313334
    25  C    9.097754   9.165467  10.301990   8.824403   7.975748
    26  H    5.815769   6.686020   7.246632   5.756510   4.837825
    27  H    7.742761   8.423149   9.212580   7.581066   6.616284
    28  H    6.928308   6.758567   7.941671   6.674320   5.919869
    29  H    8.740194   8.788352  10.202161   8.923130   8.115334
    30  H   10.123477  10.238177  11.367656   9.843643   8.980441
    31  H    9.163382   9.045283   9.962484   8.422145   7.614280
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.416839   0.000000
    23  C    2.420901   1.375141   0.000000
    24  O    2.336214   1.357104   2.423913   0.000000
    25  C    3.646295   2.380734   2.817996   1.418127   0.000000
    26  H    2.124000   3.397627   3.882720   4.459807   5.739791
    27  H    1.081593   2.149141   3.382997   2.508739   3.925657
    28  H    3.411063   2.146058   1.080107   2.723604   2.535758
    29  H    4.018533   2.704479   2.807774   2.080774   1.093710
    30  H    4.346083   3.253696   3.879451   2.011208   1.086922
    31  H    4.016584   2.703284   2.807024   2.080662   1.093697
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471570   0.000000
    28  H    4.962725   4.284853   0.000000
    29  H    6.017832   4.426185   2.330573   0.000000
    30  H    6.470070   4.384209   3.615499   1.780738   0.000000
    31  H    6.015122   4.424494   2.331397   1.784321   1.780768
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.22D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3888905           0.2034593           0.1967639
 Leave Link  202 at Thu Aug 12 20:42:53 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2190356318 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0643974872 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.1546381446 Hartrees.
 Leave Link  301 at Thu Aug 12 20:42:53 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.46D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 20:42:54 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:42:54 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:42:55 2021, MaxMem=  5368709120 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 910000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.156531253291    
 DIIS: error= 2.71D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.156531253291     IErMin= 1 ErrMin= 2.71D-03
 ErrMax= 2.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-02 BMatP= 1.34D-02
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.71D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.170 Goal=   None    Shift=    0.000
 GapD=    0.170 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.60D-02 MaxDP=7.26D-01              OVMax= 1.52D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.35D-02    CP:  1.25D+00
 E= -767.167925333745     Delta-E=       -0.011394080455 Rises=F Damp=F
 DIIS: error= 1.01D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.167925333745     IErMin= 2 ErrMin= 1.01D-03
 ErrMax= 1.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.47D-04 BMatP= 1.34D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.01D-02
 Coeff-Com:  0.591D-01 0.941D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.585D-01 0.942D+00
 Gap=     0.172 Goal=   None    Shift=    0.000
 RMSDP=7.96D-04 MaxDP=4.67D-02 DE=-1.14D-02 OVMax= 8.31D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.00D-04    CP:  1.27D+00  1.04D+00
 E= -767.167497834060     Delta-E=        0.000427499685 Rises=F Damp=F
 DIIS: error= 1.63D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.167925333745     IErMin= 2 ErrMin= 1.01D-03
 ErrMax= 1.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-03 BMatP= 6.47D-04
 IDIUse=3 WtCom= 1.99D-01 WtEn= 8.01D-01
 Coeff-Com: -0.149D-01 0.591D+00 0.424D+00
 Coeff-En:   0.000D+00 0.630D+00 0.370D+00
 Coeff:     -0.297D-02 0.622D+00 0.381D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=1.45D-04 MaxDP=5.56D-03 DE= 4.27D-04 OVMax= 5.77D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.13D-04    CP:  1.27D+00  1.04D+00  7.21D-01
 E= -767.168423084364     Delta-E=       -0.000925250304 Rises=F Damp=F
 DIIS: error= 1.55D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.168423084364     IErMin= 4 ErrMin= 1.55D-04
 ErrMax= 1.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-05 BMatP= 6.47D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.55D-03
 Coeff-Com: -0.105D-01 0.299D+00 0.197D+00 0.514D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.105D-01 0.299D+00 0.197D+00 0.515D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=6.63D-05 MaxDP=3.51D-03 DE=-9.25D-04 OVMax= 1.48D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.22D-05    CP:  1.27D+00  1.04D+00  6.62D-01  7.76D-01
 E= -767.168442125993     Delta-E=       -0.000019041629 Rises=F Damp=F
 DIIS: error= 3.51D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.168442125993     IErMin= 5 ErrMin= 3.51D-05
 ErrMax= 3.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-06 BMatP= 2.08D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.438D-02 0.104D+00 0.676D-01 0.277D+00 0.556D+00
 Coeff:     -0.438D-02 0.104D+00 0.676D-01 0.277D+00 0.556D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=1.69D-05 MaxDP=1.03D-03 DE=-1.90D-05 OVMax= 5.95D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.20D-05    CP:  1.27D+00  1.04D+00  6.66D-01  8.07D-01  7.90D-01
 E= -767.168443742451     Delta-E=       -0.000001616457 Rises=F Damp=F
 DIIS: error= 1.64D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.168443742451     IErMin= 6 ErrMin= 1.64D-05
 ErrMax= 1.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.19D-07 BMatP= 2.36D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.788D-03 0.902D-02 0.612D-02 0.751D-01 0.365D+00 0.545D+00
 Coeff:     -0.788D-03 0.902D-02 0.612D-02 0.751D-01 0.365D+00 0.545D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=6.63D-06 MaxDP=3.35D-04 DE=-1.62D-06 OVMax= 2.39D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.33D-06    CP:  1.27D+00  1.04D+00  6.72D-01  7.99D-01  8.00D-01
                    CP:  6.95D-01
 E= -767.168444278009     Delta-E=       -0.000000535558 Rises=F Damp=F
 DIIS: error= 3.34D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.168444278009     IErMin= 7 ErrMin= 3.34D-06
 ErrMax= 3.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-08 BMatP= 6.19D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-03-0.714D-03-0.388D-03 0.230D-01 0.153D+00 0.276D+00
 Coeff-Com:  0.550D+00
 Coeff:     -0.165D-03-0.714D-03-0.388D-03 0.230D-01 0.153D+00 0.276D+00
 Coeff:      0.550D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=1.57D-06 MaxDP=8.45D-05 DE=-5.36D-07 OVMax= 5.17D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.15D-06    CP:  1.27D+00  1.04D+00  6.72D-01  7.98D-01  8.13D-01
                    CP:  6.80D-01  7.96D-01
 E= -767.168444293575     Delta-E=       -0.000000015567 Rises=F Damp=F
 DIIS: error= 2.15D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.168444293575     IErMin= 8 ErrMin= 2.15D-06
 ErrMax= 2.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.99D-09 BMatP= 2.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.595D-05-0.172D-02-0.115D-02 0.356D-02 0.438D-01 0.955D-01
 Coeff-Com:  0.363D+00 0.497D+00
 Coeff:      0.595D-05-0.172D-02-0.115D-02 0.356D-02 0.438D-01 0.955D-01
 Coeff:      0.363D+00 0.497D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=7.78D-07 MaxDP=3.36D-05 DE=-1.56D-08 OVMax= 2.72D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.13D-07    CP:  1.27D+00  1.04D+00  6.71D-01  8.01D-01  8.11D-01
                    CP:  6.94D-01  7.62D-01  7.01D-01
 E= -767.168444298864     Delta-E=       -0.000000005288 Rises=F Damp=F
 DIIS: error= 4.06D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.168444298864     IErMin= 9 ErrMin= 4.06D-07
 ErrMax= 4.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-10 BMatP= 5.99D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.156D-04-0.877D-03-0.586D-03 0.920D-04 0.124D-01 0.303D-01
 Coeff-Com:  0.156D+00 0.264D+00 0.538D+00
 Coeff:      0.156D-04-0.877D-03-0.586D-03 0.920D-04 0.124D-01 0.303D-01
 Coeff:      0.156D+00 0.264D+00 0.538D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=2.53D-07 MaxDP=9.38D-06 DE=-5.29D-09 OVMax= 6.81D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.59D-07    CP:  1.27D+00  1.04D+00  6.71D-01  8.01D-01  8.11D-01
                    CP:  6.91D-01  7.80D-01  6.99D-01  7.17D-01
 E= -767.168444299131     Delta-E=       -0.000000000268 Rises=F Damp=F
 DIIS: error= 1.44D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.168444299131     IErMin=10 ErrMin= 1.44D-07
 ErrMax= 1.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.61D-11 BMatP= 2.88D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.786D-05-0.239D-03-0.156D-03-0.547D-03 0.491D-03 0.262D-02
 Coeff-Com:  0.365D-01 0.757D-01 0.298D+00 0.588D+00
 Coeff:      0.786D-05-0.239D-03-0.156D-03-0.547D-03 0.491D-03 0.262D-02
 Coeff:      0.365D-01 0.757D-01 0.298D+00 0.588D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=7.27D-08 MaxDP=2.58D-06 DE=-2.68D-10 OVMax= 1.75D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.22D-08    CP:  1.27D+00  1.04D+00  6.72D-01  8.01D-01  8.11D-01
                    CP:  6.91D-01  7.81D-01  6.90D-01  7.38D-01  7.31D-01
 E= -767.168444299132     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 2.86D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.168444299132     IErMin=11 ErrMin= 2.86D-08
 ErrMax= 2.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-12 BMatP= 3.61D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.247D-05-0.483D-04-0.293D-04-0.271D-03-0.616D-03-0.939D-03
 Coeff-Com:  0.636D-02 0.167D-01 0.101D+00 0.269D+00 0.608D+00
 Coeff:      0.247D-05-0.483D-04-0.293D-04-0.271D-03-0.616D-03-0.939D-03
 Coeff:      0.636D-02 0.167D-01 0.101D+00 0.269D+00 0.608D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=2.02D-08 MaxDP=8.04D-07 DE=-9.09D-13 OVMax= 4.89D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.48D-08    CP:  1.27D+00  1.04D+00  6.72D-01  8.01D-01  8.11D-01
                    CP:  6.91D-01  7.81D-01  6.96D-01  7.40D-01  7.48D-01
                    CP:  7.80D-01
 E= -767.168444299201     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 1.25D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.168444299201     IErMin=12 ErrMin= 1.25D-08
 ErrMax= 1.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-13 BMatP= 1.77D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.496D-06 0.114D-06 0.154D-05-0.895D-04-0.380D-03-0.819D-03
 Coeff-Com: -0.607D-03 0.214D-03 0.215D-01 0.787D-01 0.342D+00 0.560D+00
 Coeff:      0.496D-06 0.114D-06 0.154D-05-0.895D-04-0.380D-03-0.819D-03
 Coeff:     -0.607D-03 0.214D-03 0.215D-01 0.787D-01 0.342D+00 0.560D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=7.63D-09 MaxDP=3.80D-07 DE=-6.87D-11 OVMax= 2.62D-07

 SCF Done:  E(RB3LYP) =  -767.168444299     A.U. after   12 cycles
            NFock= 12  Conv=0.76D-08     -V/T= 2.0107
 KE= 7.590789379311D+02 PE=-4.050942890588D+03 EE= 1.390540870213D+03
 Leave Link  502 at Thu Aug 12 20:46:19 2021, MaxMem=  5368709120 cpu:            1630.1 elap:             204.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.52557029D+02

 Leave Link  801 at Thu Aug 12 20:46:20 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9484 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 6.16D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 4.82D-01 1.82D-01.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 9.13D-02 9.61D-02.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 1.68D-02 3.10D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 5.42D-03 2.55D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 3.71D-04 4.46D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.39D-05 4.60D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 5.55D-07 8.44D-05.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 1.61D-08 1.50D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 4.22D-10 2.53D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 7.17D-12 3.78D-07.
      7 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 1.11D-13 3.89D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.310669D+03
      2 -0.949668D+01  0.173312D+03
      3 -0.135994D+02  0.217342D+01  0.119651D+03
 Isotropic polarizability for W=    0.088559      201.21 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.288527D+03 -0.900370D+02  0.436323D+02
      2   0.884956D+02  0.703319D+02  0.413003D+01
      3   0.200031D+03  0.197052D+02 -0.477624D+02
      4  -0.846530D+02 -0.172868D+03 -0.119038D+01
      5  -0.312007D+02 -0.284049D+01  0.824896D+02
      6  -0.358832D+01 -0.452697D+02 -0.131686D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.354297D+01 -0.250281D+02  0.303946D+01
      2   0.486822D+02  0.527599D+00  0.346548D+02
      3   0.842215D+02  0.687165D+02 -0.279835D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.165011D+01 -0.493998D+02  0.328737D+02
      2   0.748330D+02  0.239794D+01 -0.117541D+03
      3   0.538400D+01  0.261364D+03 -0.747826D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.154791D+01 -0.273436D+01 -0.170330D+02
      2  -0.273436D+01 -0.257117D+01 -0.786500D+01
      3  -0.170330D+02 -0.786500D+01 -0.169464D+01
 OR G Eigenvalues:   -21.6589    -0.3283    16.1735  Iso=     1.9379
 Eigenvectors:
   (1)   0.628938   0.371504   0.682951
   (2)  -0.408695   0.905261  -0.116062
   (3)  -0.661367  -0.206123   0.721185
 w=    0.088559 a.u., Optical Rotation Beta=      1.9379 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      426.76 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 7.73D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.90D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 4.63D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 7.78D-02 1.04D-01.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 3.89D-03 1.87D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.37D-04 1.48D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 3.56D-06 2.22D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 4.27D-08 2.35D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 2.92D-10 1.54D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 1.68D-12 1.39D-07.
      7 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 6.26D-15 6.75D-09.
      2 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 1.40D-14 9.52D-09.
      1 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 2.04D-15 3.70D-09.
      1 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 6.77D-15 6.01D-09.
      1 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 1.34D-14 9.97D-09.
      1 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 3.16D-15 6.01D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   253 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.80D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.80D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.30D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.310669D+03 -0.949668D+01 -0.135994D+02
      2  -0.949668D+01  0.173312D+03  0.217342D+01
      3  -0.135994D+02  0.217342D+01  0.119651D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.354297D+01 -0.250281D+02  0.303946D+01
      2   0.486822D+02  0.527599D+00  0.346548D+02
      3   0.842215D+02  0.687165D+02 -0.279835D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.288527D+03 -0.900370D+02  0.436323D+02
      2   0.884956D+02  0.703319D+02  0.413003D+01
      3   0.200031D+03  0.197052D+02 -0.477624D+02
      4  -0.846530D+02 -0.172868D+03 -0.119038D+01
      5  -0.312007D+02 -0.284049D+01  0.824896D+02
      6  -0.358832D+01 -0.452697D+02 -0.131686D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.354012D+02 -0.188683D+01 -0.201039D+01  0.464380D+02 -0.733662D+01
      2  -0.188683D+01 -0.523946D-01  0.272862D+00 -0.733662D+01  0.858809D+01
      3  -0.201039D+01  0.272862D+00 -0.185776D+00 -0.349027D+01  0.741216D+00
                 6             7             8             9            10 
      1  -0.349027D+01 -0.128934D+01 -0.112181D+00  0.115813D+01 -0.389494D+02
      2   0.741216D+00 -0.112181D+00  0.152837D+00  0.119316D+01  0.313885D+01
      3  -0.682532D-01  0.115813D+01  0.119316D+01 -0.515949D-01  0.227473D+01
                11            12            13            14            15 
      1   0.313885D+01  0.227473D+01 -0.462145D+02  0.655118D+01  0.355106D+01
      2  -0.401315D+01 -0.224278D+00  0.655118D+01 -0.705770D+01 -0.770182D+00
      3  -0.224278D+00  0.524364D-02  0.355106D+01 -0.770182D+00  0.171235D+00
                16            17            18            19            20 
      1   0.218426D+01 -0.137906D+00 -0.119153D+01 -0.476655D+02  0.496995D+01
      2  -0.137906D+00  0.230494D+00 -0.970378D+00  0.496995D+01 -0.447303D+01
      3  -0.119153D+01 -0.970378D+00 -0.611186D-01  0.208906D+01 -0.247291D+00
                21            22            23            24            25 
      1   0.208906D+01  0.225238D+02 -0.235332D+01 -0.279646D+00  0.498903D+01
      2  -0.247291D+00 -0.235332D+01  0.311598D+01  0.297210D+00  0.180357D+00
      3  -0.695221D+00 -0.279646D+00  0.297210D+00  0.250986D+01  0.166794D+01
                26            27            28            29            30 
      1   0.180357D+00  0.166794D+01  0.558174D+02 -0.316358D+01 -0.150475D+01
      2   0.277921D+00  0.382072D+01 -0.316358D+01  0.401635D+01  0.262594D+00
      3   0.382072D+01  0.122507D-01 -0.150475D+01  0.262594D+00  0.253163D+01
                31            32            33            34            35 
      1  -0.560411D+01  0.121945D+01  0.136607D+00 -0.126101D+01  0.215194D+00
      2   0.121945D+01 -0.737719D+01 -0.654306D+00  0.215194D+00 -0.975635D+00
      3   0.136607D+00 -0.654306D+00 -0.698606D+00  0.690117D+01 -0.658176D+00
                36            37            38            39            40 
      1   0.690117D+01  0.630332D+01 -0.605650D+00 -0.275443D+00 -0.123016D+02
      2  -0.658176D+00 -0.605650D+00  0.877347D+01  0.339721D+00  0.141809D+01
      3  -0.972318D+00 -0.275443D+00  0.339721D+00  0.160618D+01  0.837849D-01
                41            42            43            44            45 
      1   0.141809D+01  0.837849D-01 -0.135661D+01 -0.116431D+00  0.431952D+01
      2   0.327202D+01  0.163707D+00 -0.116431D+00 -0.731376D+00 -0.247124D+01
      3   0.163707D+00 -0.122262D+01  0.431952D+01 -0.247124D+01 -0.129720D+01
                46            47            48            49            50 
      1  -0.850540D+01  0.126572D+01  0.978790D+00 -0.270358D+01  0.185931D+01
      2   0.126572D+01 -0.565208D+01 -0.904139D+00  0.185931D+01 -0.199952D+00
      3   0.978790D+00 -0.904139D+00 -0.131672D+01  0.190079D+00 -0.577040D-01
                51            52            53            54            55 
      1   0.190079D+00  0.593243D+00 -0.552351D+00 -0.103562D+01  0.121168D+02
      2  -0.577040D-01 -0.552351D+00  0.759411D+00 -0.402462D+01 -0.401036D+01
      3  -0.138502D+01 -0.103562D+01 -0.402462D+01 -0.571123D-01 -0.994826D+00
                56            57            58            59            60 
      1  -0.401036D+01 -0.994826D+00  0.704867D+00 -0.152944D+01  0.112139D+00
      2   0.985698D+01  0.728622D+00 -0.152944D+01 -0.221576D+00 -0.282876D-01
      3   0.728622D+00  0.144242D+01  0.112139D+00 -0.282876D-01  0.143961D+01
                61            62            63            64            65 
      1  -0.107405D+01  0.638428D+00  0.806369D+00  0.110213D+01  0.220924D+01
      2   0.638428D+00 -0.109608D+01  0.406716D+01  0.220924D+01  0.161672D+01
      3   0.806369D+00  0.406716D+01 -0.180377D+00 -0.934183D-01 -0.166130D+00
                66            67            68            69            70 
      1  -0.934183D-01  0.245303D+01  0.313444D+01 -0.161572D+00 -0.299883D+00
      2  -0.166130D+00  0.313444D+01  0.774641D+01 -0.263741D+00 -0.152406D+00
      3   0.160242D+00 -0.161572D+00 -0.263741D+00  0.751729D+00 -0.139719D+00
                71            72            73            74            75 
      1  -0.152406D+00 -0.139719D+00  0.613281D+01 -0.306808D+01 -0.649013D+00
      2  -0.478800D-01  0.168565D+00 -0.306808D+01  0.271289D+01  0.272174D+00
      3   0.168565D+00 -0.689514D-01 -0.649013D+00  0.272174D+00  0.536645D+00
                76            77            78            79            80 
      1  -0.414354D+01  0.423125D+01  0.472976D+00 -0.748928D+00  0.234836D+00
      2   0.423125D+01 -0.510563D+01 -0.474622D+00  0.234836D+00 -0.202265D+00
      3   0.472976D+00 -0.474622D+00 -0.697521D+00 -0.333287D+00 -0.238626D+00
                81            82            83            84            85 
      1  -0.333287D+00 -0.850362D+00 -0.154498D+01  0.252605D-01 -0.748984D+00
      2  -0.238626D+00 -0.154498D+01 -0.215010D+01  0.515768D-01 -0.137610D+01
      3   0.232714D-01  0.252605D-01  0.515768D-01 -0.159262D+00 -0.659064D-01
                86            87            88            89            90 
      1  -0.137610D+01 -0.659064D-01  0.153336D+00  0.127212D+00  0.427651D-01
      2  -0.102918D+02 -0.165044D+00  0.127212D+00 -0.452794D-01 -0.236759D+00
      3  -0.165044D+00 -0.834749D+00  0.427651D-01 -0.236759D+00 -0.216704D-01
                91            92            93            94            95 
      1  -0.210472D+02  0.206351D+01  0.472199D-01  0.244447D+01 -0.655336D+00
      2   0.206351D+01 -0.427021D+00 -0.559895D-01 -0.655336D+00 -0.513848D+01
      3   0.472199D-01 -0.559895D-01 -0.347491D+01 -0.124068D+01  0.612439D-01
                96            97            98            99           100 
      1  -0.124068D+01 -0.137851D+01 -0.329571D+00 -0.841509D+01 -0.770525D+01
      2   0.612439D-01 -0.329571D+00 -0.404522D+00  0.127007D+01 -0.224728D+01
      3   0.122049D+01 -0.841509D+01  0.127007D+01  0.614955D-01  0.173796D+01
               101           102           103           104           105 
      1  -0.224728D+01  0.173796D+01 -0.703267D+01  0.627961D+00  0.105747D+01
      2   0.253896D+00 -0.311941D+00  0.627961D+00  0.447229D+01  0.129021D+01
      3  -0.311941D+00  0.342782D+01  0.105747D+01  0.129021D+01 -0.282916D+01
               106           107           108           109           110 
      1  -0.539538D+01  0.526171D+00  0.578688D+01 -0.816879D+01  0.269300D+01
      2   0.526171D+00  0.562400D+00 -0.221253D+01  0.269300D+01 -0.865962D+00
      3   0.578688D+01 -0.221253D+01 -0.288413D+00 -0.464319D+00  0.415020D+00
               111           112           113           114           115 
      1  -0.464319D+00  0.257195D+01 -0.577654D+00  0.946964D+00  0.107716D+02
      2   0.415020D+00 -0.577654D+00  0.101064D+01  0.216718D+00 -0.709919D+00
      3   0.112500D+01  0.946964D+00  0.216718D+00 -0.574037D+00  0.523057D+01
               116           117           118           119           120 
      1  -0.709919D+00  0.523057D+01 -0.111938D+01  0.139288D+01  0.223472D-01
      2   0.112712D+01 -0.622290D+00  0.139288D+01  0.818563D+00 -0.995629D-01
      3  -0.622290D+00  0.465262D+00  0.223472D-01 -0.995629D-01  0.849264D+00
               121           122           123           124           125 
      1   0.323860D+01  0.202994D+01 -0.367996D-01  0.709023D+00 -0.488740D-01
      2   0.202994D+01  0.668305D+01 -0.328923D+00 -0.488740D-01 -0.291482D-01
      3  -0.367996D-01 -0.328923D+00  0.144220D+01  0.121657D+01  0.856136D+00
               126           127           128           129           130 
      1   0.121657D+01  0.160156D+02  0.126018D+01 -0.363825D+01  0.316639D+01
      2   0.856136D+00  0.126018D+01  0.110478D+01 -0.182840D+00  0.151922D+01
      3  -0.295287D+00 -0.363825D+01 -0.182840D+00  0.220799D+01 -0.938413D+00
               131           132           133           134           135 
      1   0.151922D+01 -0.938413D+00 -0.870074D+00 -0.218613D+00  0.111280D+01
      2   0.271425D+00 -0.501222D+00 -0.218613D+00  0.119778D-01  0.414769D+00
      3  -0.501222D+00  0.923149D+00  0.111280D+01  0.414769D+00 -0.484526D+00
               136           137           138           139           140 
      1  -0.349074D+00  0.536775D+00 -0.903404D+00  0.131571D+01 -0.285939D-01
      2   0.536775D+00 -0.602062D+00  0.514220D+00 -0.285939D-01  0.743243D+00
      3  -0.903404D+00  0.514220D+00 -0.307524D+01 -0.237981D+00 -0.159027D+01
               141           142           143           144           145 
      1  -0.237981D+00 -0.316051D+00 -0.489518D-01 -0.449650D+00  0.704076D+00
      2  -0.159027D+01 -0.489518D-01 -0.123057D+01  0.158568D+01 -0.726738D+00
      3   0.277655D+01 -0.449650D+00  0.158568D+01 -0.691523D+01 -0.130473D+00
               146           147           148           149           150 
      1  -0.726738D+00 -0.130473D+00 -0.238238D+01  0.857747D+00  0.978689D+00
      2   0.798178D-01  0.359936D-01  0.857747D+00 -0.605866D+01 -0.169939D+01
      3   0.359936D-01 -0.545945D+00  0.978689D+00 -0.169939D+01 -0.200576D+01
               151           152           153           154           155 
      1   0.165411D+00  0.226062D+00 -0.161908D+00  0.206487D+02 -0.358641D+01
      2   0.226062D+00 -0.719409D+00 -0.794922D+00 -0.358641D+01  0.218189D+01
      3  -0.161908D+00 -0.794922D+00 -0.734585D+00  0.116809D+01 -0.341803D+00
               156           157           158           159           160 
      1   0.116809D+01 -0.677941D+01  0.475671D+01 -0.693742D+00  0.140945D+01
      2  -0.341803D+00  0.475671D+01 -0.310439D+01  0.254518D+00 -0.326590D+00
      3   0.301787D+01 -0.693742D+00  0.254518D+00 -0.108324D+01  0.239756D+01
               161           162           163           164           165 
      1  -0.326590D+00  0.239756D+01  0.150404D+02 -0.144859D+01  0.452246D+01
      2  -0.316094D+00 -0.824081D+00 -0.144859D+01  0.216766D+00  0.281195D+00
      3  -0.824081D+00 -0.205509D+00  0.452246D+01  0.281195D+00  0.137489D+01
               166           167           168           169           170 
      1  -0.469854D+01  0.343129D+00 -0.907936D+00  0.805754D+00  0.675818D+00
      2   0.343129D+00  0.148470D+00  0.148628D+01  0.675818D+00  0.431019D+00
      3  -0.907936D+00  0.148628D+01 -0.656642D+00  0.734694D+00  0.351104D+00
               171           172           173           174           175 
      1   0.734694D+00 -0.117589D+02  0.974271D+00 -0.246797D+01  0.344585D+01
      2   0.351104D+00  0.974271D+00 -0.371684D+00 -0.281771D+00 -0.431571D-01
      3   0.763595D+01 -0.246797D+01 -0.281771D+00 -0.326841D+01  0.767404D+00
               176           177           178           179           180 
      1  -0.431571D-01  0.767404D+00 -0.680843D+01  0.917490D-01 -0.247181D+01
      2   0.634976D+00  0.803578D+00  0.917490D-01  0.917747D+00  0.269402D+00
      3   0.803578D+00  0.117422D+01 -0.247181D+01  0.269402D+00  0.432993D+00
               181           182           183           184           185 
      1  -0.126804D+02  0.186752D+01  0.475474D+00  0.704135D+01  0.684153D+00
      2   0.186752D+01 -0.107703D+02  0.929734D-01  0.684153D+00 -0.555335D+01
      3   0.475474D+00  0.929734D-01 -0.175743D+01 -0.316538D+00 -0.978757D-01
               186           187           188           189           190 
      1  -0.316538D+00  0.251254D+00  0.248391D+00 -0.521672D+01 -0.358434D+02
      2  -0.978757D-01  0.248391D+00  0.649477D+00  0.307555D+01  0.104602D+01
      3   0.100971D+01 -0.521672D+01  0.307555D+01  0.112349D+01  0.177018D+01
               191           192           193           194           195 
      1   0.104602D+01  0.177018D+01  0.157291D+02 -0.101312D+01 -0.847061D+00
      2  -0.717052D+01 -0.157625D+00 -0.101312D+01  0.132587D+02  0.109524D+00
      3  -0.157625D+00 -0.286642D+01 -0.847061D+00  0.109524D+00  0.442626D+00
               196           197           198           199           200 
      1   0.221820D+01  0.105653D+00 -0.701169D+01  0.425516D+02 -0.423498D+01
      2   0.105653D+00  0.879757D+00  0.595977D+00 -0.423498D+01  0.807285D+01
      3  -0.701169D+01  0.595977D+00  0.125971D+01 -0.282652D+01 -0.428948D-02
               201           202           203           204           205 
      1  -0.282652D+01 -0.183762D+02 -0.596241D+00  0.113024D+01 -0.406839D+01
      2  -0.428948D-02 -0.596241D+00 -0.528848D+01  0.958090D-01  0.154824D-01
      3   0.365813D+00  0.113024D+01  0.958090D-01 -0.231114D+01  0.269634D+00
               206           207           208           209           210 
      1   0.154824D-01  0.269634D+00  0.382792D+01  0.117094D+01 -0.337117D+00
      2  -0.632503D+00 -0.379714D+01  0.117094D+01  0.240523D+01  0.931301D-01
      3  -0.379714D+01 -0.270103D+00 -0.337117D+00  0.931301D-01  0.182455D+00
               211           212           213           214           215 
      1   0.351943D+00 -0.217420D+01 -0.220668D+00 -0.407851D+00 -0.966852D-01
      2  -0.217420D+01  0.166815D+01  0.238189D+00 -0.966852D-01 -0.192985D+00
      3  -0.220668D+00  0.238189D+00 -0.105610D+01 -0.487255D+00  0.468643D+00
               216           217           218           219           220 
      1  -0.487255D+00  0.173843D+01 -0.179938D+01 -0.332559D+00 -0.230657D+01
      2   0.468643D+00 -0.179938D+01 -0.317032D+01  0.473682D+00  0.775865D+00
      3   0.791415D-01 -0.332559D+00  0.473682D+00 -0.221643D+01  0.705616D+00
               221           222           223           224           225 
      1   0.775865D+00  0.705616D+00 -0.125207D-01  0.528079D+00  0.111313D+01
      2  -0.978916D+00 -0.301028D+00  0.528079D+00  0.672378D-01  0.424186D+01
      3  -0.301028D+00  0.564121D+01  0.111313D+01  0.424186D+01  0.387012D+00
               226           227           228           229           230 
      1   0.597876D+00  0.129176D+01 -0.254552D-01  0.280179D+00  0.684219D+00
      2   0.129176D+01  0.239703D+01 -0.535062D-01  0.684219D+00  0.108649D+02
      3  -0.254552D-01 -0.535062D-01  0.172130D+00  0.610738D-01  0.908749D-01
               231           232           233           234           235 
      1   0.610738D-01 -0.395186D-01 -0.650390D-01 -0.171372D+00 -0.736072D+01
      2   0.908749D-01 -0.650390D-01  0.451421D-01  0.294521D+00  0.472801D+01
      3   0.842750D+00 -0.171372D+00  0.294521D+00  0.501159D-01  0.657765D+00
               236           237           238           239           240 
      1   0.472801D+01  0.657765D+00  0.547161D+01 -0.529511D+01 -0.483384D+00
      2  -0.403892D+01 -0.415432D+00 -0.529511D+01  0.611591D+01  0.518990D+00
      3  -0.415432D+00 -0.669102D+00 -0.483384D+00  0.518990D+00  0.804309D+00
               241           242           243           244           245 
      1   0.823983D+00 -0.494551D+00  0.157035D+00 -0.161214D+01 -0.212964D+01
      2  -0.494551D+00  0.463689D+00  0.375342D+00 -0.212964D+01 -0.121787D+01
      3   0.157035D+00  0.375342D+00  0.491976D-01  0.682105D-01  0.145491D+00
               246           247           248           249           250 
      1   0.682105D-01 -0.331708D+01 -0.322398D+01  0.120770D+00  0.152415D-01
      2   0.145491D+00 -0.322398D+01 -0.671306D+01  0.847793D-01  0.107978D+00
      3  -0.871928D-01  0.120770D+00  0.847793D-01 -0.570184D+00 -0.411689D-01
               251           252           253           254           255 
      1   0.107978D+00 -0.411689D-01  0.501926D+00  0.472704D+00 -0.677187D+00
      2  -0.622572D-01  0.485838D-01  0.472704D+00  0.533687D+00  0.348569D-01
      3   0.485838D-01 -0.139024D-01 -0.677187D+00  0.348569D-01  0.927576D+00
               256           257           258           259           260 
      1  -0.951793D+00 -0.180688D+01 -0.119189D+01 -0.394035D+01 -0.233532D+01
      2  -0.180688D+01 -0.271228D+01 -0.196606D+01 -0.233532D+01 -0.255376D+01
      3  -0.119189D+01 -0.196606D+01 -0.235774D+01 -0.226963D+01 -0.275120D+01
               261           262           263           264           265 
      1  -0.226963D+01 -0.161733D+02 -0.137805D+01  0.108377D+01  0.112330D+01
      2  -0.275120D+01 -0.137805D+01 -0.106738D+01  0.740312D-01 -0.111966D+01
      3  -0.485219D+01  0.108377D+01  0.740312D-01 -0.116176D+01 -0.958294D-01
               266           267           268           269           270 
      1  -0.111966D+01 -0.958294D-01  0.116315D+01  0.833879D-01 -0.159015D+01
      2   0.215578D+00  0.114195D+00  0.833879D-01  0.117391D+00 -0.484084D+00
      3   0.114195D+00 -0.117929D+00 -0.159015D+01 -0.484084D+00  0.320136D+00
               271           272           273           274           275 
      1   0.128911D+01  0.749233D+00  0.409800D+00 -0.739255D+00 -0.156327D+01
      2   0.749233D+00  0.100192D+01 -0.641544D+00 -0.156327D+01 -0.300839D+01
      3   0.409800D+00 -0.641544D+00  0.154666D+01  0.893436D+00  0.233161D+01
               276           277           278           279 
      1   0.893436D+00  0.301397D+01  0.174059D+01 -0.192819D+01
      2   0.233161D+01  0.174059D+01  0.254615D+01 -0.301119D+01
      3  -0.268097D+01 -0.192819D+01 -0.301119D+01  0.487006D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.201762D+01  0.318536D+01  0.222356D+00  0.523590D+01 -0.312066D+01
      2   0.902893D+01 -0.198558D+00  0.262897D+00  0.106041D+02 -0.120319D+01
      3   0.345623D+02  0.288221D+02 -0.174915D+01  0.539801D+02 -0.172538D+02
                 6             7             8             9            10 
      1  -0.657392D+00 -0.399300D+01  0.670630D+01  0.307557D+00 -0.105336D+01
      2   0.748291D+00 -0.196603D+02  0.248449D+01  0.149482D+01 -0.135857D+02
      3  -0.372974D+01  0.427099D-01 -0.352197D+01  0.199102D+01 -0.238873D+02
                11            12            13            14            15 
      1   0.404716D+01  0.547792D+00  0.294528D+01 -0.743554D+00  0.122073D+00
      2   0.749250D+00 -0.398304D+01 -0.112712D+02  0.139153D+01  0.350326D+00
      3   0.319294D+02  0.186320D+01  0.449362D+02 -0.225685D+02 -0.389799D+01
                16            17            18            19            20 
      1  -0.365207D+01  0.792155D+01  0.326699D+00 -0.300990D+01 -0.107046D+01
      2  -0.213123D+02  0.117244D+01  0.180206D+01 -0.160759D+02  0.241867D+01
      3   0.333149D+01 -0.354169D+01 -0.132102D+01 -0.466215D+02 -0.221284D+02
                21            22            23            24            25 
      1   0.108788D+01 -0.739722D+00 -0.124510D+01 -0.308027D+01 -0.691470D+01
      2  -0.697392D+00  0.819614D+01 -0.151393D+01  0.224793D+01 -0.174437D+02
      3   0.260975D+01  0.181806D+02 -0.267722D+01 -0.493419D+00  0.290265D+01
                26            27            28            29            30 
      1  -0.426740D-01 -0.170823D+01 -0.985883D+00  0.134210D+01 -0.494280D+00
      2   0.747489D+01  0.164867D+01  0.204317D+02 -0.171315D+01  0.141573D+01
      3   0.230854D+01 -0.316353D+01  0.218093D+02  0.738097D+01 -0.964604D+00
                31            32            33            34            35 
      1   0.577696D+01  0.258545D+01  0.253626D+01 -0.269946D+01  0.144804D+02
      2  -0.718377D+00  0.609509D+00 -0.174227D+01 -0.158845D+02  0.220821D+01
      3   0.241296D+02  0.212891D+01  0.521303D+00  0.129884D+01 -0.167574D+01
                36            37            38            39            40 
      1   0.117958D+01 -0.346401D+00 -0.218721D+01  0.327633D+01 -0.136082D+01
      2   0.141957D+01 -0.264534D+00 -0.455615D+00  0.135554D+01 -0.553620D+01
      3   0.389518D+01 -0.249454D+02 -0.315608D+01  0.538564D+00 -0.743256D+01
                41            42            43            44            45 
      1  -0.232103D+01 -0.102598D+01  0.157988D+02  0.663038D+01 -0.893635D+00
      2   0.826943D+00 -0.146372D+01 -0.112809D+02 -0.666963D+01  0.158979D+01
      3  -0.904000D+01 -0.132663D+01 -0.946594D+00 -0.138641D+01 -0.530459D+01
                46            47            48            49            50 
      1   0.166822D+01 -0.649965D+00 -0.373940D+01 -0.147210D+01  0.190044D+01
      2  -0.206572D+01  0.702692D-01  0.138505D+01 -0.559825D+00  0.301851D+00
      3   0.458525D+02 -0.272686D+02 -0.268960D+01 -0.139921D+02  0.220506D+02
                51            52            53            54            55 
      1  -0.239029D+01 -0.875643D+01 -0.270091D+01  0.276926D+01  0.206723D+01
      2  -0.592816D+00 -0.186407D+02 -0.619689D+00  0.775875D+00 -0.110624D+01
      3   0.190269D+01 -0.387113D+01  0.260953D+01  0.594252D+01  0.267676D+02
                56            57            58            59            60 
      1  -0.354736D+01 -0.437638D+01  0.125343D+00  0.209849D+01 -0.248144D+01
      2  -0.145951D+01 -0.387911D+01  0.102627D+01 -0.558591D+00 -0.339383D+01
      3  -0.158602D+02 -0.800475D+00 -0.663870D+00  0.217485D+02  0.208814D+00
                61            62            63            64            65 
      1  -0.757652D+01 -0.415822D+01  0.121664D+01 -0.480568D+00  0.533206D-01
      2  -0.234353D+02 -0.652821D+01  0.179916D+01 -0.194682D-01  0.443338D+00
      3  -0.119784D+01  0.165489D+01  0.129503D+02  0.108220D+00  0.717155D+00
                66            67            68            69            70 
      1  -0.112987D+01 -0.564307D+00 -0.161650D+01 -0.387986D+01  0.301934D+00
      2   0.291504D+00  0.643673D+00  0.559005D+00  0.142394D+01 -0.178701D+01
      3   0.102034D+00  0.473658D+01 -0.479535D+01 -0.355693D-01  0.159632D-01
                71            72            73            74            75 
      1   0.198987D+01  0.257270D+00 -0.529918D+00 -0.550073D+00  0.258964D+01
      2  -0.829760D+00 -0.762604D-01  0.199614D+01 -0.989948D+00  0.160854D+01
      3  -0.241817D+00  0.511372D+00 -0.926328D+01  0.104187D+00  0.831687D+00
                76            77            78            79            80 
      1  -0.101215D+01  0.142473D+01 -0.272604D+01 -0.211109D+01  0.146204D+01
      2  -0.132605D+01  0.111000D+01 -0.234533D+01 -0.248941D+01  0.137633D+00
      3   0.160390D+01  0.250817D+01  0.331020D-01  0.194572D+01  0.348932D-01
                81            82            83            84            85 
      1   0.760847D-01  0.790367D+00  0.923039D+00 -0.121324D+01  0.343707D+00
      2  -0.745749D-01 -0.210196D+00 -0.373211D+00  0.664108D+00 -0.247651D+00
      3   0.741420D+00  0.525536D+01  0.247305D+01 -0.243640D+00  0.507805D+01
                86            87            88            89            90 
      1   0.284822D+01 -0.435114D+01  0.116596D+01  0.183877D+01 -0.850300D-01
      2  -0.495827D+00  0.102597D+01 -0.384630D+00  0.969347D+00  0.111773D-01
      3   0.393976D+01  0.910188D-01 -0.548724D+00 -0.243587D+00 -0.112773D+01
                91            92            93            94            95 
      1  -0.221884D+01  0.639224D+00  0.787828D+00  0.234101D+01  0.229759D+01
      2  -0.141954D+02  0.107378D+01 -0.777272D+01 -0.974762D+00 -0.936543D+00
      3  -0.131820D+02 -0.532956D+01  0.439400D-01  0.111572D+02  0.235023D+02
                96            97            98            99           100 
      1  -0.272254D+01  0.328857D+01  0.354780D+01 -0.943467D+00  0.414838D+01
      2   0.308517D+01 -0.393013D+02  0.446910D+01 -0.363637D+01 -0.131015D+02
      3  -0.855492D+00  0.335493D+00  0.503219D+00 -0.886887D+01  0.148995D+02
               101           102           103           104           105 
      1  -0.236423D+01  0.760416D+00  0.371733D+00 -0.108306D+02 -0.679935D+01
      2  -0.429254D+01  0.213528D+02 -0.306900D+01  0.631834D+01 -0.109129D+02
      3  -0.571739D+01 -0.677394D+00 -0.426777D+00 -0.235882D+02 -0.607749D+01
               106           107           108           109           110 
      1  -0.125352D+01 -0.834064D+00  0.695047D+01  0.764661D+01 -0.252933D+01
      2   0.163729D+02 -0.885184D+01  0.788596D+01  0.155610D+02 -0.155489D+01
      3  -0.372960D+01 -0.463499D+01  0.107978D+02  0.148764D+00  0.143112D+02
               111           112           113           114           115 
      1  -0.797234D+01 -0.132425D+02  0.268588D+01 -0.140398D+02 -0.805772D+01
      2   0.239214D+01  0.130271D+01  0.158945D+01  0.777200D+01  0.151731D+02
      3   0.186114D+01  0.196647D+02 -0.157339D+02  0.164226D+01  0.761784D+01
               116           117           118           119           120 
      1  -0.405728D+01 -0.284980D+01 -0.651037D+00 -0.664013D+00 -0.289482D+00
      2   0.111087D+01  0.773757D+00 -0.340756D+00  0.367088D+00  0.345490D+01
      3   0.553946D+00  0.560749D+01 -0.767627D+01 -0.273437D+01  0.196874D+00
               121           122           123           124           125 
      1  -0.863936D+00 -0.372384D+01 -0.242969D+01 -0.265331D+00  0.326074D+00
      2   0.118496D+01  0.445248D+00  0.461231D+01  0.235084D+01  0.248046D+01
      3  -0.184092D+01 -0.240714D+02  0.974020D+00  0.947951D+00 -0.103801D+00
               126           127           128           129           130 
      1   0.192963D+00 -0.216700D+01 -0.317963D+01 -0.764712D-01 -0.305430D+01
      2  -0.397273D+00  0.127863D+02  0.168202D+01  0.650257D+01  0.160905D+01
      3  -0.193679D+01 -0.505209D+01 -0.755378D+01  0.732805D+00 -0.555422D+01
               131           132           133           134           135 
      1  -0.702147D-01 -0.925557D-01  0.707394D+00  0.805347D+00 -0.880718D+00
      2   0.450013D+00  0.273492D+01  0.242154D+01  0.871091D+00  0.439566D+00
      3  -0.376135D+00  0.190712D+01  0.418164D+00  0.169920D+01 -0.158883D+01
               136           137           138           139           140 
      1  -0.184721D+01  0.270630D+01 -0.940147D+00  0.107633D+01 -0.202003D+01
      2  -0.678316D+01  0.337692D+01 -0.131272D+02  0.227850D+01 -0.645595D+01
      3  -0.282889D+01  0.237994D+01 -0.192656D+01  0.198147D+01 -0.244344D+01
               141           142           143           144           145 
      1   0.210941D+01 -0.256573D-01  0.460045D+01 -0.350012D+01  0.260343D+01
      2   0.106421D+02 -0.591699D+01  0.681060D+01 -0.278038D+02 -0.142832D+00
      3   0.581057D+01  0.275939D+00  0.425103D+01 -0.623296D+01  0.467916D+01
               146           147           148           149           150 
      1   0.205565D+00 -0.465618D+00 -0.330255D+00  0.139847D+02  0.459834D+00
      2  -0.119144D+01 -0.178965D+01 -0.802387D+00 -0.566599D+01 -0.623595D+01
      3   0.312014D+00 -0.572113D+00  0.105237D+01  0.265682D+02  0.620470D+01
               151           152           153           154           155 
      1  -0.566172D+00  0.230172D+01  0.133109D+01 -0.584733D+01  0.301448D+01
      2  -0.109176D+01 -0.243956D+01 -0.297434D+01 -0.827308D+01  0.117094D+01
      3  -0.181529D+01  0.247649D+01  0.330794D+01  0.132996D+02 -0.230985D+02
               156           157           158           159           160 
      1   0.401558D+01  0.910903D+01 -0.388581D+01 -0.659570D+00  0.200729D+01
      2   0.225566D+02 -0.394577D+01 -0.190833D+01 -0.987170D+01  0.604498D+01
      3   0.205636D+00 -0.196301D+02  0.190318D+02 -0.162780D+01  0.864292D-02
               161           162           163           164           165 
      1   0.289159D+01 -0.649633D+00 -0.874835D+01  0.263423D+01  0.539015D+00
      2  -0.329870D+01 -0.230285D+01 -0.124120D+02  0.463214D+01  0.205210D+01
      3  -0.106896D+01  0.307005D+01  0.118118D+02 -0.421961D+01  0.730441D+00
               166           167           168           169           170 
      1   0.708229D+01 -0.890135D-01  0.458992D+01 -0.145327D+01  0.877658D+01
      2   0.629863D+01  0.512065D+01 -0.337721D+01 -0.689452D+01  0.112417D+01
      3  -0.366944D+01  0.496612D-01 -0.765050D+01 -0.204045D+01 -0.246307D+01
               171           172           173           174           175 
      1  -0.887018D+00  0.859515D+01 -0.254589D+01  0.206993D+01 -0.728374D+01
      2   0.261653D+02  0.230487D+02 -0.396403D+01 -0.691803D+01 -0.604049D+01
      3  -0.180056D+01 -0.937592D+01  0.238092D+01 -0.119398D+01  0.722293D+01
               176           177           178           179           180 
      1   0.578792D+00 -0.270966D+01  0.244771D+01 -0.812782D+00  0.105753D+01
      2   0.354326D+01  0.285767D+01 -0.119996D+01  0.474615D+00  0.363389D+01
      3  -0.107393D+01 -0.811883D+00 -0.468875D+01  0.308884D+00 -0.188534D+01
               181           182           183           184           185 
      1  -0.366032D+00  0.187598D+01  0.449588D+01 -0.112700D+01 -0.151367D+01
      2  -0.140192D+01  0.773428D-01  0.639349D+01  0.139168D+01  0.163662D+01
      3  -0.236110D+02 -0.818961D+01  0.123807D+01 -0.508988D+01 -0.282605D+02
               186           187           188           189           190 
      1  -0.139696D+01  0.171222D+02  0.742892D+01 -0.237217D+01 -0.146095D+01
      2  -0.160720D+01  0.233143D+01 -0.118668D+02 -0.217428D+01 -0.800976D+01
      3  -0.382890D+00  0.514280D-01 -0.730669D+00 -0.265991D+01 -0.232952D+02
               191           192           193           194           195 
      1   0.434692D+01  0.130143D+01  0.500103D+01 -0.101625D+01  0.303941D+01
      2  -0.179574D+00 -0.658804D+00  0.290076D+01 -0.173511D+01 -0.112534D+01
      3   0.192938D+02  0.215529D+01  0.596930D+02  0.220732D+02 -0.430293D+01
               196           197           198           199           200 
      1  -0.326823D+01  0.142729D+02  0.585533D+00  0.426642D+00 -0.305780D+01
      2   0.170687D+01 -0.164183D+01 -0.154523D+01  0.975074D+01 -0.460874D-01
      3   0.374704D+01 -0.252704D+01  0.130740D+00  0.138703D+02 -0.224851D+02
               201           202           203           204           205 
      1  -0.395176D+00 -0.116293D+01  0.104110D+01 -0.257051D+01 -0.121923D+01
      2   0.280887D+01 -0.315513D+01 -0.289657D+00  0.439313D+01 -0.224611D+02
      3  -0.199797D+01 -0.184445D+02 -0.374439D+00  0.205119D+01 -0.282721D+01
               206           207           208           209           210 
      1   0.259861D+01  0.432480D+00  0.133002D+01 -0.395268D+01 -0.121667D+01
      2   0.136712D+02  0.190183D+01  0.727470D+00  0.493893D+00  0.106765D+02
      3   0.216805D+01 -0.673480D+01  0.190582D+02 -0.395277D+02 -0.215374D+01
               211           212           213           214           215 
      1  -0.337049D+00  0.929726D-01 -0.691199D+01  0.363901D+01 -0.317322D+00
      2   0.707766D+00 -0.547461D+00  0.772614D+01 -0.436486D+01 -0.500972D+01
      3  -0.200947D+01  0.348558D+01  0.689920D+00 -0.199345D+01  0.337223D+01
               216           217           218           219           220 
      1  -0.343806D+00 -0.194336D+01  0.657091D+00 -0.338834D+01  0.423003D+00
      2  -0.666660D+00  0.194148D+01 -0.239261D+01  0.122633D+02 -0.314187D+01
      3   0.186485D+01 -0.360698D+02 -0.140097D+02  0.587042D+01 -0.103610D+01
               221           222           223           224           225 
      1   0.126891D+01  0.960608D+01  0.116554D+02  0.120573D+02  0.160448D+01
      2   0.100009D+01 -0.324297D+02 -0.379964D+01 -0.230137D+02 -0.255800D+01
      3   0.181899D+02 -0.146029D+01  0.477964D+01 -0.606994D+00  0.304796D+02
               226           227           228           229           230 
      1   0.245610D+00  0.260926D+00 -0.134868D+01 -0.126227D+00 -0.246342D+00
      2   0.156683D-01  0.110484D+00  0.194152D+00 -0.163355D+00 -0.425086D+00
      3   0.692833D+01  0.668495D+01 -0.375348D+00  0.487063D+01  0.228547D+02
               231           232           233           234           235 
      1  -0.476155D+01  0.728015D+00  0.193930D+01 -0.146090D+00 -0.978497D+00
      2  -0.542699D+00  0.526555D+00  0.717849D-01 -0.965100D-01 -0.155597D+01
      3   0.356940D+00 -0.543359D+00 -0.226313D+00 -0.488042D+00 -0.249556D+00
               236           237           238           239           240 
      1   0.263528D+00  0.254988D+01  0.292093D+00 -0.111228D+00 -0.302499D+01
      2   0.999207D+00  0.370094D+01  0.109731D+01 -0.132175D+01 -0.410049D+01
      3  -0.651967D+01 -0.752614D-01 -0.682798D+01  0.128013D+02  0.925669D+00
               241           242           243           244           245 
      1  -0.243607D+01  0.686622D+00  0.351210D-02  0.347026D+00  0.321299D+00
      2  -0.247301D+01 -0.145395D+01 -0.232906D+00 -0.384145D+00 -0.568976D+00
      3   0.222394D+00  0.713857D+00  0.183965D+01 -0.889535D+00 -0.128018D+01
               246           247           248           249           250 
      1  -0.607379D+00  0.454155D+00  0.226639D+00 -0.304199D+01 -0.175748D+00
      2   0.285085D+00 -0.562035D+00 -0.352532D+00  0.188320D+01 -0.120101D+01
      3   0.995674D-01 -0.680953D+00 -0.160703D+02 -0.128242D+00  0.108023D+00
               251           252           253           254           255 
      1   0.141004D+01  0.396865D-01 -0.594253D+00  0.262139D+00  0.200247D+01
      2  -0.129366D+01  0.802432D-01  0.557977D+01  0.268011D+00 -0.436832D+01
      3  -0.408408D+00  0.424540D+00  0.407612D+00  0.537508D+01  0.183145D+01
               256           257           258           259           260 
      1  -0.133737D+01 -0.309249D+01 -0.523922D+01 -0.428866D+01 -0.304763D+01
      2   0.573161D+01  0.103476D+02  0.131709D+02  0.704482D+01  0.148374D+02
      3  -0.597126D+01 -0.188836D+02 -0.120322D+02 -0.756854D+01 -0.164258D+02
               261           262           263           264           265 
      1  -0.961344D+01  0.111278D+01 -0.460580D+00 -0.150606D+01 -0.260151D+00
      2   0.259776D+02 -0.254032D+01 -0.109693D+00  0.880497D+01  0.288813D+00
      3  -0.185277D+02  0.116817D+02 -0.819579D+01 -0.101758D+01 -0.536723D+01
               266           267           268           269           270 
      1   0.202914D+00 -0.906165D+00 -0.214476D+01 -0.364730D+00  0.210762D+00
      2  -0.372177D+00  0.716549D+00  0.707212D+01  0.243778D+01 -0.154136D+01
      3   0.251813D+01  0.644072D+00 -0.985190D+00  0.894575D+00 -0.193359D+01
               271           272           273           274           275 
      1   0.229812D+00  0.205766D-01  0.291311D+01  0.495896D+00  0.132391D+01
      2  -0.519864D+01  0.264210D+01 -0.740090D+01 -0.374782D+01 -0.114679D+02
      3   0.556944D+00  0.846026D+01 -0.556175D+01 -0.431398D+01 -0.209894D+02
               276           277           278           279 
      1  -0.439070D+01 -0.275420D+01 -0.168774D+01  0.741984D+01
      2   0.143507D+02  0.464175D+01  0.154606D+02 -0.245173D+02
      3   0.140481D+02  0.470619D+01  0.162579D+02 -0.199802D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.653899D+02  0.196433D+02  0.475269D+01 -0.863525D+02 -0.164728D+01
      2   0.269752D+02 -0.117373D+02 -0.249555D+01  0.346973D+02  0.132846D+02
      3   0.384147D+02 -0.790603D+01 -0.225714D+01  0.516552D+02 -0.116374D+02
      4  -0.118820D+02  0.162006D+02  0.131433D+01  0.114612D+02 -0.229543D+02
      5   0.117598D+01 -0.109259D+01 -0.126302D+01 -0.311092D+01  0.153195D+01
      6   0.701510D+00 -0.145167D+01  0.131865D+00  0.196065D+01 -0.166761D+01
                 6             7             8             9            10 
      1   0.700760D+01  0.506940D+01 -0.119099D+01 -0.975836D+01  0.770450D+02
      2  -0.251570D+01 -0.265948D+01  0.154357D+01 -0.132110D+01 -0.220150D+02
      3  -0.449190D+01 -0.240992D+01 -0.352582D+00  0.110795D+02 -0.550300D+02
      4  -0.142900D+01  0.837682D+00 -0.144895D+01 -0.188188D+01  0.317561D+02
      5   0.313425D+01  0.679748D+00 -0.476100D+00  0.154810D+01 -0.922456D+00
      6  -0.229028D+00  0.319022D+01  0.398513D+01 -0.895868D+00 -0.298111D+01
                11            12            13            14            15 
      1   0.157130D+02 -0.698395D+01  0.910508D+02 -0.201467D+02 -0.724069D+01
      2  -0.123801D+02  0.148176D+01 -0.328763D+02  0.127318D+02  0.295622D+01
      3  -0.333292D+01  0.550219D+01 -0.581745D+02  0.741492D+01  0.428447D+01
      4   0.119623D+02 -0.137616D+01 -0.259803D+02  0.204402D+02  0.203193D+01
      5  -0.983876D+00 -0.986250D+01  0.213760D+01 -0.517075D+00 -0.131264D+01
      6   0.435070D+00 -0.160456D+00 -0.242303D+00  0.190569D+01 -0.108649D+01
                16            17            18            19            20 
      1  -0.506351D+01 -0.151764D+01 -0.512068D+01  0.445740D+02 -0.262474D+02
      2   0.258663D+00  0.990893D+00 -0.369762D+01 -0.999651D+01  0.145839D+02
      3   0.480484D+01  0.526744D+00  0.881830D+01 -0.345775D+02  0.116635D+02
      4  -0.270706D+01 -0.409179D+00  0.371722D+01  0.504839D+00 -0.232290D+02
      5   0.249424D+01  0.195969D+01  0.232573D+01  0.554628D+00  0.142313D+01
      6   0.195807D+01  0.269293D+01  0.791790D-01 -0.135995D+01  0.504580D+01
                21            22            23            24            25 
      1  -0.792311D+01  0.108243D+02  0.198655D+02  0.345809D+01 -0.493340D+01
      2   0.365573D+01 -0.261495D+02 -0.251499D+02 -0.443155D+00  0.271162D+00
      3   0.426738D+01  0.153252D+02  0.528445D+01 -0.301493D+01  0.466224D+01
      4  -0.919884D-01  0.886695D+01 -0.121742D+01 -0.226886D+00  0.199907D+01
      5  -0.445420D+01 -0.604106D+00 -0.114764D-01  0.876031D+01  0.121097D+02
      6  -0.376895D+00  0.712336D+00 -0.195384D+01  0.594882D+01  0.371463D+01
                26            27            28            29            30 
      1   0.781321D+01 -0.123051D+02  0.166616D+02 -0.709519D+01  0.482337D+01
      2  -0.280548D+01  0.596793D+00 -0.392798D+02  0.641069D+01 -0.106835D+01
      3  -0.500773D+01  0.117083D+02  0.226181D+02  0.684500D+00 -0.375502D+01
      4   0.178778D+01  0.669956D+01 -0.220374D+01  0.138986D+02  0.454997D+00
      5   0.891734D+01  0.287072D+01 -0.657282D+01  0.204569D+01  0.111402D+02
      6   0.133711D+02 -0.240670D+01  0.123195D+01 -0.256068D+01  0.227866D+01
                31            32            33            34            35 
      1   0.438000D+02 -0.462545D+02 -0.163769D+01  0.676449D+01 -0.223562D+01
      2  -0.298257D+02  0.399798D+02  0.193037D+01 -0.507873D+00  0.109760D+01
      3  -0.139743D+02  0.627464D+01 -0.292676D+00 -0.625662D+01  0.113803D+01
      4  -0.288616D+02 -0.155855D+02  0.216285D+00 -0.266041D+01 -0.372989D+00
      5  -0.240554D+01  0.171884D+01 -0.299513D+01  0.340938D+02 -0.353941D+01
      6   0.714567D+00  0.479190D+01 -0.381778D+01  0.446440D+01  0.311233D+01
                36            37            38            39            40 
      1   0.557237D+00 -0.210809D+02  0.533649D+02  0.395216D+01 -0.400146D+02
      2  -0.124686D+02  0.122106D+02 -0.361692D+02 -0.136662D+01  0.421101D+02
      3   0.119114D+02  0.887026D+01 -0.171958D+02 -0.258554D+01 -0.209548D+01
      4  -0.107711D+00  0.268209D+02  0.261851D+01 -0.274138D+01  0.167733D+02
      5  -0.178316D+01  0.451167D+00 -0.462834D+01  0.316950D+01  0.270618D+01
      6  -0.862042D+00 -0.358322D+01 -0.409225D+01 -0.669675D+01 -0.822387D+00
                41            42            43            44            45 
      1   0.253875D+02  0.817822D+00  0.249443D+01 -0.681445D+01 -0.121270D+02
      2  -0.242983D+02 -0.246456D+01  0.318509D+01  0.186098D+01 -0.648798D+00
      3  -0.108921D+01  0.164673D+01 -0.567952D+01  0.495347D+01  0.127758D+02
      4   0.242905D+02  0.528112D+00 -0.405291D+01  0.146068D+01 -0.700176D+01
      5  -0.957064D+00 -0.790012D+01  0.136389D+02 -0.747455D+01 -0.222181D+01
      6  -0.374583D+01  0.218027D+01 -0.181344D+02  0.886350D+01  0.494677D+01
                46            47            48            49            50 
      1   0.253475D+02 -0.419495D+02 -0.553392D+01  0.162934D+02  0.705450D+01
      2  -0.201896D+02  0.270222D+02  0.213902D+01 -0.123765D+02 -0.168574D+02
      3  -0.515792D+01  0.149273D+02  0.339490D+01 -0.391683D+01  0.980291D+01
      4  -0.311166D+02 -0.121246D+02  0.212582D+01  0.174325D+02 -0.103648D+02
      5   0.321914D+01  0.210348D+01  0.118981D+01  0.199650D+00 -0.817205D+00
      6   0.218034D+01  0.603363D+01  0.571284D+01 -0.175111D+01 -0.197161D+00
                51            52            53            54            55 
      1  -0.985130D+00 -0.415126D+01  0.337658D+01 -0.204573D+02 -0.178513D+02
      2  -0.405527D+00  0.250225D+01 -0.508148D+01  0.897408D+01  0.251310D+01
      3   0.139066D+01  0.164901D+01  0.170490D+01  0.114832D+02  0.153382D+02
      4  -0.133204D+01  0.325869D+01  0.293509D+01  0.215390D+01  0.237221D+02
      5   0.376008D+00  0.343572D+01  0.547187D+00  0.246134D+01 -0.324211D+01
      6   0.635973D+01  0.333226D+01  0.197168D+02  0.969935D+00  0.843662D+00
                56            57            58            59            60 
      1  -0.292645D+02 -0.210842D+01  0.613837D+00  0.165890D+02  0.735427D+00
      2   0.279870D+02  0.148620D+01 -0.589054D+01 -0.212991D+02 -0.286854D+00
      3   0.127754D+01  0.622220D+00  0.527670D+01  0.471019D+01 -0.448572D+00
      4  -0.561261D+02 -0.300887D+01  0.139383D+02 -0.103780D+02 -0.168154D+00
      5   0.996363D+00 -0.637888D+01  0.947079D+00 -0.319093D+00 -0.470404D+01
      6   0.301768D+01  0.736701D+01 -0.544831D+00 -0.390748D+00  0.704372D+01
                61            62            63            64            65 
      1  -0.694188D+00  0.243868D+01 -0.274840D+02 -0.143066D+01 -0.380901D+01
      2   0.105705D+01 -0.320889D+01  0.150175D+02  0.559476D+01  0.629274D+01
      3  -0.362864D+00  0.770209D+00  0.124665D+02 -0.416410D+01 -0.248373D+01
      4  -0.246649D+01  0.737675D+01 -0.105647D+02  0.861893D+01  0.117771D+02
      5  -0.223413D+01 -0.154780D+02  0.313347D+01 -0.860426D+00 -0.656493D+00
      6   0.319756D+01  0.247831D+02 -0.150148D+01 -0.126640D+01 -0.147285D+01
                66            67            68            69            70 
      1   0.914493D-01 -0.843042D+01 -0.309826D+02  0.120540D+01 -0.982024D+00
      2  -0.563878D-01  0.130038D+02  0.406787D+02 -0.873733D+00  0.637500D+00
      3  -0.350615D-01 -0.457341D+01 -0.969617D+01 -0.331662D+00  0.344524D+00
      4  -0.452295D+00  0.130694D+02  0.221443D+02 -0.561758D+00 -0.284978D+00
      5   0.132619D+01 -0.666179D+00  0.233111D+00  0.213811D+01 -0.285930D+00
      6   0.130868D+01 -0.182175D+01 -0.483456D+01  0.579111D+01  0.148494D+01
                71            72            73            74            75 
      1  -0.150252D+00 -0.290720D+01  0.676137D+01  0.161506D+01  0.900850D-02
      2   0.133976D+00  0.356683D+01  0.134771D+01 -0.767828D+01  0.139667D+00
      3   0.162762D-01 -0.659633D+00 -0.810908D+01  0.606322D+01 -0.148676D+00
      4  -0.493118D+00  0.988916D+00 -0.219588D+02  0.178685D+02  0.166477D+01
      5   0.163371D+00 -0.375664D+00 -0.494960D+01  0.211226D+01  0.422204D+01
      6   0.272295D+01 -0.368920D+00  0.312673D+01 -0.245115D+01 -0.244929D+01
                76            77            78            79            80 
      1   0.529103D+01 -0.130752D+02 -0.155963D+01 -0.127546D+01 -0.336820D+00
      2  -0.136135D+02  0.224286D+02  0.125546D+01  0.100716D+00  0.591338D+00
      3   0.832252D+01 -0.935346D+01  0.304170D+00  0.117475D+01 -0.254518D+00
      4   0.239006D+02 -0.258936D+02 -0.221659D+01  0.182027D+01 -0.126320D+01
      5   0.296412D+01 -0.248259D+01 -0.353944D+01  0.169650D+00 -0.141122D+01
      6  -0.386325D+01  0.483953D+01  0.484186D+01  0.785119D+00  0.224322D+01
                81            82            83            84            85 
      1   0.365603D-01 -0.432108D+01 -0.773555D+01  0.324301D+00 -0.552147D+01
      2   0.981757D+00  0.671349D+01  0.111489D+02 -0.252644D+00  0.709994D+01
      3  -0.101832D+01 -0.239242D+01 -0.341335D+01 -0.716570D-01 -0.157847D+01
      4  -0.246581D+01  0.451607D+01  0.124540D+02  0.254871D+00  0.726684D+01
      5  -0.364598D+00  0.864603D+00  0.123621D+01  0.187330D+01  0.697867D+00
      6   0.412392D+00  0.664328D+00  0.408791D+00  0.156965D+01  0.792443D+00
                86            87            88            89            90 
      1  -0.474553D+02 -0.101954D+01  0.899211D+00 -0.885982D-01 -0.210839D+01
      2   0.622914D+02  0.661152D+00 -0.655585D+00 -0.458253D-03  0.248918D+01
      3  -0.148361D+02  0.358390D+00 -0.243626D+00  0.890564D-01 -0.380787D+00
      4   0.149180D+02  0.399761D+00 -0.126619D+00 -0.713124D+00  0.205965D+01
      5   0.293141D+01  0.120136D+01  0.927183D+00  0.169161D+01 -0.113386D-01
      6   0.464190D+01  0.690661D+01 -0.466295D-02  0.378138D+01  0.181294D+00
                91            92            93            94            95 
      1  -0.168764D+02  0.718043D+01 -0.110624D+02  0.944481D+01  0.106175D+02
      2   0.258844D+02 -0.795523D+01 -0.721297D+00 -0.135896D+02 -0.186579D+02
      3  -0.900792D+01  0.774798D+00  0.117837D+02  0.414478D+01  0.804048D+01
      4   0.855903D+01 -0.183721D+01 -0.706836D+00 -0.397270D+01 -0.423447D+02
      5  -0.884041D+00 -0.210353D+01 -0.240932D+02 -0.142771D+02  0.773738D-01
      6  -0.194058D+01  0.231230D+01  0.653831D+00 -0.160530D+00  0.613221D+01
                96            97            98            99           100 
      1  -0.672389D+01 -0.844461D+01 -0.165905D+00 -0.265131D+02 -0.728777D+02
      2   0.944893D+01 -0.301218D+01  0.246256D+00  0.212780D+02  0.397613D+02
      3  -0.272504D+01  0.114568D+02 -0.803517D-01  0.523512D+01  0.331165D+02
      4  -0.151887D+00 -0.227763D+01 -0.173440D+01  0.766392D+01 -0.247929D+02
      5   0.699771D+01 -0.657026D+02  0.889321D+01  0.579742D+01  0.378760D+02
      6   0.149324D+01  0.206422D+01  0.627849D+00 -0.342233D+01  0.110634D+02
               101           102           103           104           105 
      1  -0.181996D+02  0.320162D+02 -0.313493D+02  0.110465D+02 -0.591223D+01
      2   0.727542D+01 -0.318369D+01  0.229882D+02 -0.724358D+01 -0.104304D+02
      3   0.109242D+02 -0.288325D+02  0.836113D+01 -0.380293D+01  0.163426D+02
      4   0.516231D+01  0.115078D-01  0.187148D+01  0.378247D+02  0.105588D+02
      5   0.400139D+01  0.173659D+02  0.166768D+02  0.698061D+01 -0.173918D+02
      6  -0.340007D+01  0.212138D+01 -0.147462D+01 -0.181915D+02 -0.656711D+01
               106           107           108           109           110 
      1   0.207308D+01 -0.754412D+01  0.348929D+02 -0.100007D+03  0.203779D+02
      2   0.175307D+02 -0.505725D+01 -0.152322D+02  0.425656D+02 -0.333141D+01
      3  -0.196038D+02  0.126014D+02 -0.196607D+02  0.574416D+02 -0.170465D+02
      4   0.204301D+01  0.643440D+01 -0.153140D+02  0.335973D+02 -0.222634D+02
      5   0.446778D+02 -0.138729D+02 -0.177080D+02 -0.168680D+02  0.775095D+01
      6  -0.205925D+01 -0.346637D+01  0.140781D+02  0.620480D+01 -0.121798D+01
               111           112           113           114           115 
      1  -0.813035D+01  0.338456D+02 -0.140840D+02  0.372899D+01  0.357209D+02
      2   0.352974D+01 -0.886313D+01  0.971307D+01 -0.253583D+01 -0.250902D+02
      3   0.460061D+01 -0.249824D+02  0.437090D+01 -0.119316D+01 -0.106306D+02
      4   0.473663D+01 -0.521171D+01  0.220269D+02  0.902733D+00 -0.285425D+01
      5  -0.488973D+01  0.141279D+02 -0.107933D+01  0.338556D+01  0.330118D+02
      6   0.346910D+01 -0.182597D+01  0.306186D+01  0.931455D+00 -0.429002D+01
               116           117           118           119           120 
      1   0.324073D+00  0.304121D+02 -0.417802D+01  0.663468D+01  0.146856D+01
      2   0.142819D+01 -0.763745D+01  0.777951D+01 -0.143356D+01 -0.638996D+00
      3  -0.175226D+01 -0.227746D+02 -0.360149D+01 -0.520112D+01 -0.829560D+00
      4   0.332392D+01 -0.665063D+01  0.123790D+02  0.107999D+02 -0.967793D+00
      5  -0.655745D+01  0.685822D+01  0.456328D+00 -0.134644D+01  0.761999D+01
      6  -0.351518D+01 -0.337543D+01 -0.139590D+01 -0.100771D+01  0.133766D+00
               121           122           123           124           125 
      1   0.102125D+02 -0.131126D+02  0.312803D+01  0.331586D+01 -0.230295D+00
      2   0.931162D-01  0.275394D+02 -0.181528D+01 -0.184947D+01  0.179331D+01
      3  -0.103057D+02 -0.144268D+02 -0.131275D+01 -0.146639D+01 -0.156301D+01
      4   0.189420D+02  0.499029D+02 -0.245922D+01 -0.970073D-01  0.215703D+00
      5  -0.637105D+00 -0.223970D+01  0.106101D+02  0.960862D+01  0.553689D+01
      6  -0.172073D+01 -0.672603D+01  0.448369D+01  0.171486D+01  0.561466D+01
               126           127           128           129           130 
      1   0.851207D+00  0.114694D+03  0.112370D+02 -0.205660D+02  0.210757D+02
      2  -0.145623D+00 -0.686316D+02 -0.537102D+01  0.177244D+02 -0.117888D+02
      3  -0.705584D+00 -0.460622D+02 -0.586603D+01  0.284156D+01 -0.928695D+01
      4   0.592769D+01  0.176941D+02  0.138936D+02 -0.328224D+01  0.192472D+02
      5  -0.202514D+01 -0.629547D+02 -0.511322D+01  0.282865D+02 -0.137171D+02
      6  -0.731261D+00 -0.738214D+01 -0.526341D+01  0.157377D+01 -0.681853D+01
               131           132           133           134           135 
      1   0.998542D+01 -0.239823D+01 -0.670657D+01  0.603051D+00  0.701578D+01
      2  -0.428390D+01  0.428283D+01  0.718632D+01  0.134631D+01 -0.697741D+01
      3  -0.570152D+01 -0.188461D+01 -0.479748D+00 -0.194936D+01 -0.383728D-01
      4   0.351859D+01 -0.536217D+01 -0.983449D+00 -0.190834D+01  0.375627D+01
      5  -0.709698D+01  0.826892D+01  0.160605D+02  0.351498D+01 -0.733884D+01
      6  -0.715039D+00  0.350683D+01  0.155697D+01  0.150114D+01 -0.206504D+01
               136           137           138           139           140 
      1  -0.431102D+01  0.716087D+01 -0.218882D+02  0.792745D+01 -0.102138D+02
      2  -0.141582D+01 -0.155018D+01 -0.146980D+01 -0.500290D+01  0.186079D+01
      3   0.572684D+01 -0.561069D+01  0.233580D+02 -0.292455D+01  0.835305D+01
      4   0.372015D+01 -0.377067D+01  0.282703D+01  0.136752D+01  0.440212D+01
      5  -0.187046D+01  0.124407D+00 -0.109358D+02 -0.590830D+01 -0.791065D+01
      6  -0.324349D+01  0.448089D+01 -0.439622D+01  0.339777D-01 -0.614810D+01
               141           142           143           144           145 
      1   0.123016D+02 -0.843480D+01  0.822038D+01 -0.375134D+02  0.718250D+01
      2   0.350572D+01  0.242307D+01  0.231124D+01 -0.124430D+02 -0.205751D+01
      3  -0.158073D+02  0.601173D+01 -0.105316D+02  0.499564D+02 -0.512498D+01
      4  -0.107777D+02 -0.761710D+00 -0.836974D+01  0.116652D+02 -0.503251D+01
      5   0.161493D+02  0.469508D+01  0.871758D+01 -0.365705D+02 -0.423337D+01
      6   0.119117D+02 -0.856117D-01  0.897143D+01 -0.122994D+02  0.236860D+01
               146           147           148           149           150 
      1  -0.524326D+01 -0.544210D+01 -0.110511D+02 -0.998217D+01 -0.289382D+01
      2   0.271521D+01  0.533461D+00  0.681109D+01  0.133725D+02 -0.235645D+01
      3   0.252805D+01  0.490864D+01  0.423997D+01 -0.339034D+01  0.525027D+01
      4   0.332941D+01  0.905942D+00  0.112475D+02 -0.471146D+02 -0.132240D+02
      5   0.250147D+01 -0.120824D+01  0.122714D+02 -0.122205D+02 -0.153603D+02
      6  -0.751350D-01  0.361637D-01 -0.444789D+01  0.260638D+02  0.109709D+02
               151           152           153           154           155 
      1  -0.498132D+00 -0.227516D+01 -0.683395D+01  0.195990D+03 -0.309803D+02
      2  -0.528005D+00 -0.442255D+00  0.112970D+01 -0.919959D+02  0.982731D+01
      3   0.102614D+01  0.271742D+01  0.570425D+01 -0.103994D+03  0.211530D+02
      4   0.171389D+01 -0.552454D+01 -0.574839D+01 -0.433646D+02  0.395830D+02
      5   0.428849D+00 -0.568710D+01 -0.354003D+01  0.346624D+02 -0.697097D+01
      6  -0.146115D+01  0.752436D+01  0.368479D+01 -0.529760D+01  0.446150D+01
               156           157           158           159           160 
      1   0.744742D+01 -0.427033D+02  0.352691D+02 -0.141743D+01  0.635365D+01
      2  -0.871149D+01  0.143644D+02 -0.949747D+01  0.217980D+01 -0.728682D+01
      3   0.126408D+01  0.283389D+02 -0.257717D+02 -0.762372D+00  0.933175D+00
      4  -0.327699D+01  0.550091D+02 -0.384227D+02  0.278028D+01 -0.280872D+01
      5   0.377002D+02 -0.106124D+02  0.776813D+01 -0.128513D+02  0.340540D+02
      6  -0.204867D+01  0.945485D+01 -0.655387D+01  0.563750D+01 -0.421780D+01
               161           162           163           164           165 
      1  -0.631696D+00  0.183464D+02  0.582844D+02 -0.103207D+02  0.159278D+02
      2   0.101471D+01 -0.127184D+02 -0.416185D+02  0.420143D+01 -0.113265D+02
      3  -0.383011D+00 -0.562799D+01 -0.166660D+02  0.611931D+01 -0.460128D+01
      4   0.738544D+00 -0.740373D+01 -0.107725D+02  0.844575D+01  0.148238D+01
      5  -0.844679D+01  0.436838D+01  0.383679D+02 -0.834583D+00  0.205947D+02
      6   0.504678D+01 -0.174476D+01 -0.354085D+01  0.170531D+01  0.115354D+01
               166           167           168           169           170 
      1  -0.198429D+02 -0.557634D+01  0.129695D+00 -0.843384D+01  0.821018D+00
      2   0.112740D+02  0.900722D+00  0.114762D+01  0.949996D+00 -0.123693D+01
      3   0.856893D+01  0.467562D+01 -0.127732D+01  0.748384D+01  0.415908D+00
      4   0.757475D+01  0.916658D+00  0.113367D+02  0.537898D+01  0.481318D+01
      5  -0.917701D+01  0.115627D+02 -0.368089D+01  0.149263D+02  0.409731D+01
      6   0.193018D+01  0.510853D+00  0.118124D+02  0.312687D+01  0.107749D+02
               171           172           173           174           175 
      1  -0.351029D+02 -0.516545D+02  0.816906D+01  0.685669D+01  0.156148D+02
      2  -0.135157D+02  0.334279D+02 -0.384855D+01  0.642321D+01 -0.106407D+02
      3   0.486186D+02  0.182266D+02 -0.432051D+01 -0.132799D+02 -0.497406D+01
      4   0.673320D+01  0.753423D+01 -0.493174D+01 -0.140418D+01 -0.105857D+01
      5   0.459296D+02 -0.289164D+02  0.113474D+01 -0.175182D+02  0.791047D+01
      6   0.430044D+01  0.286568D+01 -0.397533D+01 -0.226943D+01 -0.769137D+00
               176           177           178           179           180 
      1  -0.721942D+01 -0.220484D+01 -0.106165D+02  0.252710D+00 -0.109439D+02
      2   0.408626D+01 -0.143455D+01  0.136142D+02 -0.702805D+00  0.553276D+01
      3   0.313317D+01  0.363939D+01 -0.299770D+01  0.450095D+00  0.541111D+01
      4   0.276098D+01  0.370875D+01  0.248710D+01 -0.887824D-01  0.137429D+01
      5   0.221017D+01  0.591687D+01 -0.136217D+02  0.105290D+01 -0.301682D+01
      6   0.280968D+01  0.417188D+01 -0.104187D+01  0.133052D+01  0.103700D+01
               181           182           183           184           185 
      1   0.307536D+02  0.488627D+02  0.354946D+00 -0.417295D+02  0.133485D+02
      2  -0.149861D+02 -0.409343D+02 -0.150631D+00  0.328850D+02 -0.196716D+02
      3  -0.157674D+02 -0.792840D+01 -0.204316D+00  0.884454D+01  0.632311D+01
      4   0.224412D+01  0.376978D+02 -0.283031D+01 -0.396926D+01  0.355330D+02
      5   0.553253D+01 -0.568430D+01  0.116345D+02  0.244239D+00  0.179443D+01
      6  -0.407254D+01  0.216831D+01 -0.790744D+01  0.134377D+01 -0.173711D+01
               186           187           188           189           190 
      1   0.212945D+01  0.131875D+01 -0.654739D+01  0.607654D+01  0.109768D+03
      2  -0.220501D+01  0.124595D+01  0.342950D+01 -0.782484D+01 -0.533355D+02
      3   0.755588D-01 -0.256470D+01  0.311789D+01  0.174831D+01 -0.564321D+02
      4   0.180954D+01 -0.532644D+01 -0.185792D+00 -0.248012D+02  0.885209D+01
      5  -0.629505D+01  0.363724D+02 -0.203783D+02 -0.362183D+01  0.325944D+01
      6   0.283325D+01 -0.246592D+02  0.138732D+02  0.359774D+01 -0.164453D+01
               191           192           193           194           195 
      1  -0.288211D+00 -0.595419D+01 -0.409858D+02 -0.383218D+02  0.133018D+01
      2  -0.115387D+02  0.106650D+01  0.744031D+01  0.421247D+02  0.918618D+00
      3   0.118270D+02  0.488770D+01  0.335455D+02 -0.380286D+01 -0.224880D+01
      4   0.220585D+02 -0.215021D+00 -0.410368D+02 -0.611741D+02  0.181396D+01
      5   0.626722D+00  0.105480D+01 -0.101782D+01  0.410441D+00 -0.252315D+01
      6   0.100007D+01 -0.277072D+01  0.302881D+01  0.664427D+00 -0.532654D+01
               196           197           198           199           200 
      1  -0.172626D+01 -0.210095D+01  0.244336D+02 -0.110461D+03 -0.209321D+02
      2   0.903794D+00  0.251111D+01 -0.216898D+02  0.379765D+02  0.222135D+02
      3   0.822463D+00 -0.410160D+00 -0.274376D+01  0.724847D+02 -0.128142D+01
      4  -0.309305D+01 -0.285237D+01 -0.987005D-01 -0.323024D+02 -0.317833D+02
      5   0.509119D+02 -0.504190D+01 -0.369456D+01  0.255431D+01  0.311671D+01
      6  -0.134363D+01  0.296868D+01 -0.388605D+00  0.412196D+01  0.778580D+00
               201           202           203           204           205 
      1   0.660931D+01  0.806566D+02  0.179231D+02 -0.408905D+01  0.996681D+01
      2  -0.252630D+01 -0.470625D+02 -0.251953D+02  0.205631D+01 -0.445184D+01
      3  -0.408301D+01 -0.335941D+02  0.727220D+01  0.203274D+01 -0.551497D+01
      4   0.329985D+01  0.286739D+02  0.209375D+02 -0.189219D+01  0.529960D+01
      5   0.574695D+01 -0.163451D+01 -0.689074D+00  0.102394D+02  0.144717D+01
      6   0.568629D+00 -0.209195D+01 -0.675264D+00  0.660277D+01  0.296335D+01
               206           207           208           209           210 
      1   0.507075D+01 -0.167898D+02  0.414384D+02 -0.666983D+01 -0.469973D+00
      2  -0.400460D+01 -0.759757D+00 -0.265037D+02  0.642913D+01  0.217943D+01
      3  -0.106615D+01  0.175495D+02 -0.149346D+02  0.240692D+00 -0.170946D+01
      4   0.311060D+01  0.178617D+02 -0.145961D+02  0.849697D+01  0.435658D+00
      5   0.224260D+02  0.333036D+01 -0.441658D+01 -0.446989D-01  0.212396D+02
      6   0.107559D+02 -0.195516D+00  0.879152D+00 -0.134275D+01  0.312281D+01
               211           212           213           214           215 
      1  -0.119163D+02  0.780166D+01  0.310066D+01 -0.996905D+00 -0.140308D+00
      2   0.789522D+01 -0.448544D+01 -0.145183D+01  0.194488D+01 -0.616602D+00
      3   0.402110D+01 -0.331622D+01 -0.164883D+01 -0.947973D+00  0.756910D+00
      4   0.336662D+02 -0.152604D+02 -0.195134D+01  0.101369D+01 -0.446801D+00
      5   0.250731D+01 -0.453257D+00  0.149185D+02  0.140871D+02 -0.544353D+01
      6  -0.686981D+00  0.200107D+00  0.120920D+02 -0.147723D+01  0.390613D+01
               216           217           218           219           220 
      1   0.509717D+01 -0.867711D+02 -0.530632D+00  0.123479D+02  0.132146D+02
      2  -0.390980D+01  0.496322D+02  0.401593D+01 -0.678171D+01 -0.394370D+01
      3  -0.118738D+01  0.371390D+02 -0.348530D+01 -0.556621D+01 -0.927092D+01
      4  -0.654052D+01  0.611159D+01  0.262609D+02 -0.297943D+01 -0.723205D+01
      5  -0.323653D+01  0.110709D+02 -0.326240D+01  0.182395D+02 -0.620145D+01
      6   0.512134D+00  0.322055D+00 -0.260628D+01  0.764154D+01 -0.181203D+01
               221           222           223           224           225 
      1   0.152077D+02 -0.100269D+02  0.895790D+01 -0.624255D+01  0.231442D+02
      2  -0.742162D+01  0.329540D+01 -0.526998D+01  0.207727D+01 -0.181269D+02
      3  -0.778609D+01  0.673154D+01 -0.368793D+01  0.416529D+01 -0.501726D+01
      4   0.123763D+01  0.314420D+00 -0.485106D+01 -0.222836D+01 -0.394956D+02
      5  -0.384471D-01 -0.627632D+02 -0.898298D+01 -0.423218D+02 -0.732206D+01
      6   0.130059D+01 -0.262617D+02 -0.970299D+01 -0.200201D+02  0.194693D+00
               226           227           228           229           230 
      1  -0.638006D+01 -0.153713D+02  0.423691D+00 -0.445975D+01 -0.574695D+02
      2   0.792840D+01  0.168716D+02 -0.238955D+00  0.444679D+01  0.758291D+02
      3  -0.154834D+01 -0.150025D+01 -0.184736D+00  0.129571D-01 -0.183596D+02
      4   0.541716D+00  0.521177D+01  0.234514D+00  0.352319D+01 -0.225456D+02
      5   0.373858D+00  0.656120D+00  0.912743D+00  0.611805D-01  0.209900D+01
      6  -0.289149D+00 -0.822222D+00  0.186061D+01  0.163742D+00 -0.100756D+01
               231           232           233           234           235 
      1  -0.619483D+00  0.703942D+00  0.114648D+00 -0.144698D+01  0.373178D+02
      2   0.731737D+00 -0.477387D+00  0.193706D+00  0.220342D+01 -0.721213D+01
      3  -0.112254D+00 -0.226555D+00 -0.308355D+00 -0.756439D+00 -0.301057D+02
      4  -0.195009D-02 -0.182287D-01 -0.671343D+00  0.749717D+00 -0.539578D+02
      5  -0.202835D+01  0.220292D+01  0.270525D+00 -0.190487D+00 -0.358366D+01
      6   0.758908D+01 -0.613060D+00  0.383672D+01  0.585020D-01  0.279325D+01
               236           237           238           239           240 
      1  -0.195732D+02 -0.254657D+01 -0.178745D+02  0.901127D+01  0.795627D+00
      2  -0.160308D+01  0.661198D+00 -0.810066D+01  0.166135D+02  0.914412D+00
      3   0.211763D+02  0.188537D+01  0.259751D+02 -0.256248D+02 -0.171004D+01
      4   0.429003D+02  0.441098D+01  0.512350D+02 -0.564916D+02 -0.454316D+01
      5   0.225840D+01  0.683175D+01  0.231122D+01 -0.205997D+01 -0.662285D+01
      6  -0.207060D+01 -0.391844D+01 -0.239496D+01  0.290393D+01  0.551058D+01
               241           242           243           244           245 
      1  -0.346720D+01  0.144849D+01 -0.727082D-01  0.902530D+01  0.101504D+02
      2   0.570258D+00  0.446767D+00  0.115983D+01 -0.225287D+01 -0.317024D+01
      3   0.289695D+01 -0.189526D+01 -0.108712D+01 -0.677243D+01 -0.698013D+01
      4   0.543071D+01 -0.451269D+01 -0.446207D+01  0.161355D+02  0.135567D+02
      5   0.723170D+00 -0.330930D+01 -0.105819D+01 -0.232316D+00 -0.415025D+00
      6   0.113416D+00  0.320796D+01  0.718138D+00 -0.143622D+00 -0.403843D+00
               246           247           248           249           250 
      1  -0.453868D+00  0.991993D+01 -0.708672D+01 -0.557470D+00 -0.417530D+00
      2   0.245065D+00  0.178582D+01  0.200289D+02  0.261101D-01  0.257230D+00
      3   0.208803D+00 -0.117058D+02 -0.129422D+02  0.531360D+00  0.160300D+00
      4  -0.899222D+00  0.247669D+02  0.406810D+02 -0.583210D+00 -0.633834D+00
      5   0.105451D+01  0.162530D+00  0.146975D+01  0.371012D+01  0.539542D+00
      6   0.369001D+00 -0.300401D-01  0.159214D+00  0.420861D+01  0.168415D+01
               251           252           253           254           255 
      1  -0.112976D+01 -0.150603D+01  0.311807D+01  0.362239D+01  0.891761D+01
      2   0.651141D+00  0.215673D+01 -0.169051D+01 -0.328024D+01 -0.422695D+01
      3   0.478623D+00 -0.650701D+00 -0.142756D+01 -0.342152D+00 -0.469067D+01
      4  -0.464643D-01  0.227481D+00 -0.189284D+01 -0.422214D+01  0.191181D+01
      5  -0.698133D+00  0.410269D-01  0.687444D+01  0.375585D+00 -0.675825D+01
      6   0.159050D+01  0.526479D-01  0.224960D+01 -0.579410D+00 -0.408893D+01
               256           257           258           259           260 
      1   0.612867D+01 -0.501232D+00 -0.815924D-01  0.278845D+02  0.639029D+01
      2   0.603754D+00  0.822595D+01  0.506947D+01 -0.127093D+02  0.123269D+01
      3  -0.673242D+01 -0.772472D+01 -0.498788D+01 -0.151752D+02 -0.762298D+01
      4   0.220354D+02  0.292073D+02  0.203374D+02  0.282695D+02  0.279366D+02
      5   0.132930D+02  0.212709D+02  0.259642D+02  0.261571D+02  0.291416D+02
      6   0.598963D+01  0.104244D+02  0.128364D+02  0.109715D+02  0.143124D+02
               261           262           263           264           265 
      1  -0.440027D+01  0.204655D+03  0.137775D+02 -0.129369D+02 -0.117666D+02
      2   0.597815D+00 -0.105955D+03 -0.443005D+01  0.755442D+01  0.940063D+01
      3   0.380246D+01 -0.987001D+02 -0.934740D+01  0.538245D+01  0.236599D+01
      4   0.272586D+02  0.372503D+02  0.179977D+02 -0.228666D+01  0.172643D+02
      5   0.511522D+02 -0.154494D+02 -0.965556D+00  0.175507D+02  0.781395D+00
      6   0.186909D+02 -0.222924D+01 -0.778819D+00  0.286289D+01 -0.742067D+00
               266           267           268           269           270 
      1   0.151245D+02  0.116296D+01 -0.134498D+02 -0.410937D+00  0.147942D+02
      2  -0.747046D+01 -0.885111D+00  0.812609D+01  0.112538D+00 -0.836774D+01
      3  -0.765402D+01 -0.277850D+00  0.532373D+01  0.298399D+00 -0.642642D+01
      4  -0.598939D+00 -0.145673D+01 -0.250331D+01 -0.155878D+01  0.611351D+01
      5  -0.164849D+01  0.116452D+01  0.230099D+02  0.516951D+01 -0.415580D+01
      6  -0.140899D+00  0.194305D+01  0.331606D+01  0.292665D+01 -0.715629D+00
               271           272           273           274           275 
      1  -0.479977D+01  0.403896D+01 -0.124557D+02  0.441513D+01 -0.664368D+01
      2   0.171328D+01 -0.425240D+01  0.546234D+01  0.162472D+00  0.109244D+02
      3   0.308649D+01  0.213438D+00  0.699336D+01 -0.457760D+01 -0.428075D+01
      4  -0.618173D+01 -0.857435D+01  0.262171D+01  0.188585D+02  0.301075D+02
      5  -0.493651D+01  0.381182D+01 -0.117404D+02 -0.100304D+02 -0.215179D+02
      6  -0.124669D+01  0.372424D+01 -0.685249D+01 -0.570327D+01 -0.135516D+02
               276           277           278           279 
      1   0.688724D+01 -0.221646D+02  0.143062D+01 -0.120340D+02
      2  -0.737830D+01  0.107995D+02 -0.330529D+01  0.203307D+01
      3   0.491064D+00  0.113652D+02  0.187466D+01  0.100009D+02
      4  -0.220000D+02 -0.210450D+02 -0.253043D+02  0.275859D+02
      5   0.270331D+02  0.210333D+02  0.285401D+02 -0.451805D+02
      6   0.153321D+02  0.995562D+01  0.162713D+02 -0.203683D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:28:56 2021, MaxMem=  5368709120 cpu:           20400.8 elap:            2556.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18875 -19.18851 -19.13112 -10.32159 -10.26495
 Alpha  occ. eigenvalues --  -10.25528 -10.22105 -10.21439 -10.21417 -10.20997
 Alpha  occ. eigenvalues --  -10.20735 -10.20729 -10.20500 -10.20436 -10.20290
 Alpha  occ. eigenvalues --  -10.19992 -10.18693  -1.09726  -1.07668  -1.01678
 Alpha  occ. eigenvalues --   -0.89060  -0.84729  -0.80374  -0.78355  -0.75543
 Alpha  occ. eigenvalues --   -0.73453  -0.70877  -0.66229  -0.64056  -0.62136
 Alpha  occ. eigenvalues --   -0.61684  -0.60237  -0.55210  -0.54157  -0.53601
 Alpha  occ. eigenvalues --   -0.50434  -0.48896  -0.48733  -0.48267  -0.46611
 Alpha  occ. eigenvalues --   -0.46068  -0.45061  -0.44145  -0.43178  -0.42909
 Alpha  occ. eigenvalues --   -0.42306  -0.41607  -0.40460  -0.39891  -0.37891
 Alpha  occ. eigenvalues --   -0.37219  -0.36885  -0.36685  -0.35485  -0.34544
 Alpha  occ. eigenvalues --   -0.32990  -0.32293  -0.30700  -0.28175  -0.25334
 Alpha  occ. eigenvalues --   -0.23090
 Alpha virt. eigenvalues --   -0.06048  -0.03325  -0.00945  -0.00236   0.00663
 Alpha virt. eigenvalues --    0.01287   0.02620   0.03595   0.03852   0.03998
 Alpha virt. eigenvalues --    0.05276   0.05698   0.06184   0.06825   0.07392
 Alpha virt. eigenvalues --    0.07693   0.08840   0.09457   0.09900   0.10644
 Alpha virt. eigenvalues --    0.10873   0.11075   0.11635   0.11828   0.12211
 Alpha virt. eigenvalues --    0.12769   0.13842   0.14141   0.14605   0.14699
 Alpha virt. eigenvalues --    0.15264   0.15692   0.16265   0.16957   0.17203
 Alpha virt. eigenvalues --    0.17852   0.18077   0.18550   0.19116   0.19483
 Alpha virt. eigenvalues --    0.19983   0.20515   0.21065   0.21279   0.21657
 Alpha virt. eigenvalues --    0.22393   0.23158   0.23340   0.23781   0.24627
 Alpha virt. eigenvalues --    0.24982   0.25350   0.25935   0.26242   0.26703
 Alpha virt. eigenvalues --    0.27114   0.27351   0.27634   0.27738   0.28322
 Alpha virt. eigenvalues --    0.28761   0.29392   0.29724   0.30117   0.30518
 Alpha virt. eigenvalues --    0.30805   0.31154   0.31871   0.32313   0.32515
 Alpha virt. eigenvalues --    0.32697   0.33205   0.33748   0.34202   0.34322
 Alpha virt. eigenvalues --    0.34473   0.35020   0.35028   0.35719   0.35844
 Alpha virt. eigenvalues --    0.36134   0.36554   0.36829   0.36992   0.37356
 Alpha virt. eigenvalues --    0.37655   0.38187   0.38269   0.38452   0.38616
 Alpha virt. eigenvalues --    0.39007   0.39601   0.40111   0.40420   0.40960
 Alpha virt. eigenvalues --    0.41511   0.41910   0.42084   0.42316   0.42493
 Alpha virt. eigenvalues --    0.43179   0.43552   0.43887   0.44592   0.44811
 Alpha virt. eigenvalues --    0.44966   0.45239   0.45442   0.46178   0.46920
 Alpha virt. eigenvalues --    0.47073   0.47439   0.47888   0.47976   0.48513
 Alpha virt. eigenvalues --    0.49216   0.49430   0.49898   0.50536   0.51109
 Alpha virt. eigenvalues --    0.51281   0.51664   0.52119   0.52582   0.52859
 Alpha virt. eigenvalues --    0.53234   0.53637   0.54199   0.54439   0.55690
 Alpha virt. eigenvalues --    0.55870   0.56480   0.56530   0.57012   0.57671
 Alpha virt. eigenvalues --    0.57933   0.58533   0.59162   0.59814   0.60045
 Alpha virt. eigenvalues --    0.60491   0.61094   0.61341   0.61985   0.62448
 Alpha virt. eigenvalues --    0.63031   0.63466   0.64753   0.65209   0.65416
 Alpha virt. eigenvalues --    0.65667   0.66539   0.67041   0.67506   0.67871
 Alpha virt. eigenvalues --    0.68249   0.68414   0.70035   0.70227   0.70644
 Alpha virt. eigenvalues --    0.71057   0.71579   0.71948   0.72550   0.73238
 Alpha virt. eigenvalues --    0.73555   0.73882   0.74335   0.75370   0.75839
 Alpha virt. eigenvalues --    0.76354   0.76901   0.77456   0.78580   0.79316
 Alpha virt. eigenvalues --    0.81118   0.81653   0.81906   0.82639   0.83088
 Alpha virt. eigenvalues --    0.84125   0.84917   0.85516   0.85803   0.87257
 Alpha virt. eigenvalues --    0.87835   0.88241   0.89401   0.89870   0.90267
 Alpha virt. eigenvalues --    0.91379   0.92919   0.93283   0.93554   0.95930
 Alpha virt. eigenvalues --    0.96118   0.96719   0.97798   0.98223   0.98469
 Alpha virt. eigenvalues --    0.99453   1.00135   1.00989   1.01079   1.02030
 Alpha virt. eigenvalues --    1.03033   1.03246   1.03570   1.04024   1.04355
 Alpha virt. eigenvalues --    1.04935   1.05910   1.06795   1.09165   1.09718
 Alpha virt. eigenvalues --    1.10597   1.11737   1.12909   1.13917   1.14330
 Alpha virt. eigenvalues --    1.15106   1.16932   1.18071   1.18301   1.18883
 Alpha virt. eigenvalues --    1.20138   1.21197   1.21964   1.22972   1.23172
 Alpha virt. eigenvalues --    1.25018   1.25929   1.26017   1.27387   1.27607
 Alpha virt. eigenvalues --    1.29069   1.30888   1.31111   1.31848   1.33455
 Alpha virt. eigenvalues --    1.33822   1.34020   1.35798   1.36462   1.37011
 Alpha virt. eigenvalues --    1.40071   1.40487   1.41387   1.44242   1.45765
 Alpha virt. eigenvalues --    1.46650   1.47942   1.48251   1.48904   1.49816
 Alpha virt. eigenvalues --    1.50399   1.52493   1.53871   1.54623   1.55600
 Alpha virt. eigenvalues --    1.56611   1.59098   1.59363   1.59927   1.61232
 Alpha virt. eigenvalues --    1.61311   1.62552   1.62870   1.64697   1.65667
 Alpha virt. eigenvalues --    1.66028   1.66857   1.69920   1.70719   1.71095
 Alpha virt. eigenvalues --    1.73033   1.73331   1.73869   1.75299   1.75585
 Alpha virt. eigenvalues --    1.77127   1.78122   1.79396   1.79645   1.81074
 Alpha virt. eigenvalues --    1.83421   1.84346   1.85277   1.86148   1.86978
 Alpha virt. eigenvalues --    1.87520   1.88322   1.89032   1.89604   1.90475
 Alpha virt. eigenvalues --    1.91686   1.91956   1.92583   1.95064   1.96226
 Alpha virt. eigenvalues --    1.97462   1.98096   1.99811   2.00278   2.00752
 Alpha virt. eigenvalues --    2.01852   2.02801   2.03611   2.04258   2.05335
 Alpha virt. eigenvalues --    2.05674   2.06948   2.07450   2.09356   2.09705
 Alpha virt. eigenvalues --    2.10983   2.11850   2.12353   2.13741   2.14499
 Alpha virt. eigenvalues --    2.14732   2.17061   2.19345   2.21478   2.21772
 Alpha virt. eigenvalues --    2.23270   2.25214   2.26130   2.26769   2.28903
 Alpha virt. eigenvalues --    2.28995   2.30707   2.32654   2.33092   2.34765
 Alpha virt. eigenvalues --    2.35285   2.37043   2.38135   2.39270   2.41248
 Alpha virt. eigenvalues --    2.42449   2.43226   2.45621   2.46209   2.46583
 Alpha virt. eigenvalues --    2.46950   2.50079   2.53284   2.53475   2.53915
 Alpha virt. eigenvalues --    2.55182   2.56454   2.57341   2.58288   2.59836
 Alpha virt. eigenvalues --    2.63781   2.66042   2.66706   2.70532   2.71726
 Alpha virt. eigenvalues --    2.77093   2.77833   2.82148   2.84810   2.87187
 Alpha virt. eigenvalues --    2.87445   2.90951   2.91659   2.91754   2.93291
 Alpha virt. eigenvalues --    2.93915   2.95062   2.95394   2.97327   2.98042
 Alpha virt. eigenvalues --    3.00039   3.02780   3.04544   3.07352   3.08257
 Alpha virt. eigenvalues --    3.08716   3.10171   3.10950   3.13534   3.14682
 Alpha virt. eigenvalues --    3.15551   3.18586   3.19586   3.21354   3.25511
 Alpha virt. eigenvalues --    3.26922   3.31667   3.45580   3.45974   3.59310
 Alpha virt. eigenvalues --    3.59440   3.62685   3.79455   3.83551   3.98388
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   12.895675  -2.440489  -1.579717   0.280611  -0.148179  -0.124364
     2  C   -2.440489  13.778700   0.292139  -1.002633   0.681641  -1.264190
     3  C   -1.579717   0.292139  10.828672  -1.515052  -0.136169  -0.222065
     4  C    0.280611  -1.002633  -1.515052  14.360412  -2.333367   0.704867
     5  C   -0.148179   0.681641  -0.136169  -2.333367  10.268400  -0.871167
     6  C   -0.124364  -1.264190  -0.222065   0.704867  -0.871167   8.906685
     7  C   -0.328029  -0.641984  -0.392800   0.121405   0.050872   0.174105
     8  H   -1.045835   0.277211  -0.017594  -2.296150   0.201698   0.196306
     9  H    0.130722  -0.099007  -0.030605  -1.343126   0.434124  -0.710891
    10  H    0.280765  -1.581781   0.189941   0.016993  -1.176828  -0.179784
    11  C   -0.001270   0.029708  -0.806434   0.134614  -0.693282  -0.023665
    12  C    0.004991   0.004063  -0.013392   0.011023  -0.036380  -0.002625
    13  C    0.004545   0.000106  -0.209300   0.374221  -0.259571  -0.006059
    14  H   -0.018294  -0.012704  -0.201315  -0.153242   0.115947   0.018498
    15  H   -0.000167  -0.000066  -0.028711   0.001309  -0.013055  -0.000953
    16  H   -0.001110   0.001530   0.072493  -0.077274   0.022458  -0.000982
    17  H    0.001789   0.001964   0.003393  -0.031917  -0.008506   0.005918
    18  O   -0.000189  -0.000406   0.043025  -0.050548   0.061499  -0.003319
    19  O   -0.002880  -0.003771   0.018929  -0.034671   0.013307   0.006034
    20  H   -0.001895  -0.003002  -0.006066  -0.008510  -0.012358   0.002080
    21  C    0.041438  -0.478830   0.092358  -0.014905  -0.001256  -0.041899
    22  C   -0.705560   0.122801   0.014821   0.019961   0.009045   0.086412
    23  C   -0.341082  -0.765984   0.058892   0.136947  -0.068526  -0.771795
    24  O    0.046798   0.049059  -0.004869  -0.001838  -0.000180  -0.011432
    25  C   -0.010334   0.009308  -0.000037  -0.000258   0.000199  -0.008633
    26  H   -0.348342   0.166492  -0.149383   0.032077  -0.019654  -0.021766
    27  H   -0.057928   0.021065   0.003631   0.001255   0.000626   0.004202
    28  H    0.059475  -0.379114  -0.004186  -0.016912   0.027473   0.105470
    29  H    0.001018   0.005318  -0.000083   0.000012   0.000061   0.000043
    30  H   -0.001145  -0.005027   0.000011   0.000006  -0.000005   0.000089
    31  H    0.001359   0.005089  -0.000085  -0.000001   0.000084  -0.000080
               7          8          9         10         11         12
     1  C   -0.328029  -1.045835   0.130722   0.280765  -0.001270   0.004991
     2  C   -0.641984   0.277211  -0.099007  -1.581781   0.029708   0.004063
     3  C   -0.392800  -0.017594  -0.030605   0.189941  -0.806434  -0.013392
     4  C    0.121405  -2.296150  -1.343126   0.016993   0.134614   0.011023
     5  C    0.050872   0.201698   0.434124  -1.176828  -0.693282  -0.036380
     6  C    0.174105   0.196306  -0.710891  -0.179784  -0.023665  -0.002625
     7  C    8.041862  -0.260257  -0.000432   0.010606  -0.025828  -0.000464
     8  H   -0.260257   4.119100   0.051603  -0.026619  -0.432296  -0.036639
     9  H   -0.000432   0.051603   3.861918  -0.998904  -0.357122  -0.015173
    10  H    0.010606  -0.026619  -0.998904   4.271309   0.001191   0.001254
    11  C   -0.025828  -0.432296  -0.357122   0.001191   7.806007   0.353336
    12  C   -0.000464  -0.036639  -0.015173   0.001254   0.353336   4.073228
    13  C    0.004058  -0.097220  -0.025019   0.002878  -0.321584   0.080383
    14  H    0.004295  -0.014355   0.021510  -0.000183   0.082267  -0.190513
    15  H    0.000034  -0.007340   0.000408  -0.000040   0.245455   0.142484
    16  H   -0.000675   0.027056  -0.011140   0.000388   0.182663   0.121270
    17  H    0.000193   0.000640   0.008127   0.001429   0.077452   0.201461
    18  O   -0.000266   0.011025   0.006637  -0.000597  -0.030230  -0.008777
    19  O   -0.002569   0.004306  -0.001008   0.002588   0.064270   0.004381
    20  H    0.000895   0.005109  -0.011967   0.000915  -0.055097   0.002117
    21  C   -0.228546   0.057100   0.001031  -0.024445  -0.000706   0.000026
    22  C    0.602785  -0.010135   0.001120  -0.035830  -0.000451  -0.000016
    23  C   -0.501069  -0.006258  -0.008621  -0.169867  -0.000685   0.000145
    24  O   -0.006038  -0.000830   0.000079  -0.000808   0.000026   0.000000
    25  C   -0.004969  -0.000035  -0.000003  -0.001221  -0.000005  -0.000000
    26  H   -0.822353  -0.181337   0.000800  -0.000284  -0.004472  -0.000126
    27  H   -0.019261   0.000203  -0.000030   0.000667   0.000028   0.000001
    28  H    0.078374   0.002489  -0.002630  -0.045006  -0.000339   0.000035
    29  H    0.000319  -0.000003   0.000004  -0.000139  -0.000001   0.000000
    30  H    0.000474   0.000000   0.000000   0.000038   0.000000  -0.000000
    31  H    0.000402  -0.000003   0.000004  -0.000217  -0.000000  -0.000000
              13         14         15         16         17         18
     1  C    0.004545  -0.018294  -0.000167  -0.001110   0.001789  -0.000189
     2  C    0.000106  -0.012704  -0.000066   0.001530   0.001964  -0.000406
     3  C   -0.209300  -0.201315  -0.028711   0.072493   0.003393   0.043025
     4  C    0.374221  -0.153242   0.001309  -0.077274  -0.031917  -0.050548
     5  C   -0.259571   0.115947  -0.013055   0.022458  -0.008506   0.061499
     6  C   -0.006059   0.018498  -0.000953  -0.000982   0.005918  -0.003319
     7  C    0.004058   0.004295   0.000034  -0.000675   0.000193  -0.000266
     8  H   -0.097220  -0.014355  -0.007340   0.027056   0.000640   0.011025
     9  H   -0.025019   0.021510   0.000408  -0.011140   0.008127   0.006637
    10  H    0.002878  -0.000183  -0.000040   0.000388   0.001429  -0.000597
    11  C   -0.321584   0.082267   0.245455   0.182663   0.077452  -0.030230
    12  C    0.080383  -0.190513   0.142484   0.121270   0.201461  -0.008777
    13  C    6.041976  -0.192778  -0.063080  -0.028410   0.074597  -0.061388
    14  H   -0.192778   1.385740   0.039105  -0.021927  -0.011152  -0.001619
    15  H   -0.063080   0.039105   0.782779  -0.086367  -0.015178   0.003834
    16  H   -0.028410  -0.021927  -0.086367   0.851287   0.013983   0.014809
    17  H    0.074597  -0.011152  -0.015178   0.013983   0.813037  -0.008858
    18  O   -0.061388  -0.001619   0.003834   0.014809  -0.008858   8.451757
    19  O   -0.190184  -0.000964   0.007614   0.000131  -0.008494   0.082265
    20  H    0.138245   0.004175  -0.001017   0.000790  -0.000215  -0.019827
    21  C   -0.000213  -0.000164  -0.000001   0.000018  -0.000003   0.000016
    22  C    0.000328  -0.000062   0.000001  -0.000012  -0.000006  -0.000018
    23  C    0.000019  -0.000128  -0.000006  -0.000001   0.000035   0.000012
    24  O   -0.000003   0.000003   0.000000   0.000000   0.000000   0.000000
    25  C    0.000002  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    26  H    0.000563   0.001539  -0.000003  -0.000030   0.000013  -0.000018
    27  H   -0.000005  -0.000001   0.000000  -0.000000   0.000000   0.000000
    28  H    0.000095  -0.000012   0.000000   0.000003  -0.000003  -0.000003
    29  H    0.000000  -0.000000   0.000000   0.000000   0.000000  -0.000000
    30  H    0.000000   0.000000   0.000000  -0.000000  -0.000000  -0.000000
    31  H   -0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
              19         20         21         22         23         24
     1  C   -0.002880  -0.001895   0.041438  -0.705560  -0.341082   0.046798
     2  C   -0.003771  -0.003002  -0.478830   0.122801  -0.765984   0.049059
     3  C    0.018929  -0.006066   0.092358   0.014821   0.058892  -0.004869
     4  C   -0.034671  -0.008510  -0.014905   0.019961   0.136947  -0.001838
     5  C    0.013307  -0.012358  -0.001256   0.009045  -0.068526  -0.000180
     6  C    0.006034   0.002080  -0.041899   0.086412  -0.771795  -0.011432
     7  C   -0.002569   0.000895  -0.228546   0.602785  -0.501069  -0.006038
     8  H    0.004306   0.005109   0.057100  -0.010135  -0.006258  -0.000830
     9  H   -0.001008  -0.011967   0.001031   0.001120  -0.008621   0.000079
    10  H    0.002588   0.000915  -0.024445  -0.035830  -0.169867  -0.000808
    11  C    0.064270  -0.055097  -0.000706  -0.000451  -0.000685   0.000026
    12  C    0.004381   0.002117   0.000026  -0.000016   0.000145   0.000000
    13  C   -0.190184   0.138245  -0.000213   0.000328   0.000019  -0.000003
    14  H   -0.000964   0.004175  -0.000164  -0.000062  -0.000128   0.000003
    15  H    0.007614  -0.001017  -0.000001   0.000001  -0.000006   0.000000
    16  H    0.000131   0.000790   0.000018  -0.000012  -0.000001   0.000000
    17  H   -0.008494  -0.000215  -0.000003  -0.000006   0.000035   0.000000
    18  O    0.082265  -0.019827   0.000016  -0.000018   0.000012   0.000000
    19  O    8.250226   0.159205   0.000072  -0.000022  -0.000222  -0.000007
    20  H    0.159205   0.565591  -0.000103   0.000016   0.000188  -0.000001
    21  C    0.000072  -0.000103   8.345417  -0.917771   0.126450  -0.055185
    22  C   -0.000022   0.000016  -0.917771   8.790687  -0.869943  -0.167022
    23  C   -0.000222   0.000188   0.126450  -0.869943   9.538082   0.266220
    24  O   -0.000007  -0.000001  -0.055185  -0.167022   0.266220   8.872632
    25  C   -0.000001  -0.000000  -0.008579   0.146121  -0.003906   0.114475
    26  H   -0.000668   0.000193  -0.831237   0.108350   0.091307   0.019081
    27  H    0.000007  -0.000002  -0.000194  -0.429434   0.017351   0.050998
    28  H   -0.000048  -0.000014   0.097158  -0.890239  -1.052786  -0.284745
    29  H   -0.000000  -0.000000  -0.000661   0.026648   0.007398   0.124970
    30  H   -0.000000  -0.000000   0.015285   0.026617   0.073480  -0.311261
    31  H    0.000000   0.000000  -0.000966   0.019868   0.008328   0.125772
              25         26         27         28         29         30
     1  C   -0.010334  -0.348342  -0.057928   0.059475   0.001018  -0.001145
     2  C    0.009308   0.166492   0.021065  -0.379114   0.005318  -0.005027
     3  C   -0.000037  -0.149383   0.003631  -0.004186  -0.000083   0.000011
     4  C   -0.000258   0.032077   0.001255  -0.016912   0.000012   0.000006
     5  C    0.000199  -0.019654   0.000626   0.027473   0.000061  -0.000005
     6  C   -0.008633  -0.021766   0.004202   0.105470   0.000043   0.000089
     7  C   -0.004969  -0.822353  -0.019261   0.078374   0.000319   0.000474
     8  H   -0.000035  -0.181337   0.000203   0.002489  -0.000003   0.000000
     9  H   -0.000003   0.000800  -0.000030  -0.002630   0.000004   0.000000
    10  H   -0.001221  -0.000284   0.000667  -0.045006  -0.000139   0.000038
    11  C   -0.000005  -0.004472   0.000028  -0.000339  -0.000001   0.000000
    12  C   -0.000000  -0.000126   0.000001   0.000035   0.000000  -0.000000
    13  C    0.000002   0.000563  -0.000005   0.000095   0.000000   0.000000
    14  H   -0.000000   0.001539  -0.000001  -0.000012  -0.000000   0.000000
    15  H    0.000000  -0.000003   0.000000   0.000000   0.000000   0.000000
    16  H   -0.000000  -0.000030  -0.000000   0.000003   0.000000  -0.000000
    17  H    0.000000   0.000013   0.000000  -0.000003   0.000000  -0.000000
    18  O   -0.000000  -0.000018   0.000000  -0.000003  -0.000000  -0.000000
    19  O   -0.000001  -0.000668   0.000007  -0.000048  -0.000000  -0.000000
    20  H   -0.000000   0.000193  -0.000002  -0.000014  -0.000000  -0.000000
    21  C   -0.008579  -0.831237  -0.000194   0.097158  -0.000661   0.015285
    22  C    0.146121   0.108350  -0.429434  -0.890239   0.026648   0.026617
    23  C   -0.003906   0.091307   0.017351  -1.052786   0.007398   0.073480
    24  O    0.114475   0.019081   0.050998  -0.284745   0.124970  -0.311261
    25  C    3.967141   0.001417  -0.023207  -0.085039   0.186446   0.343904
    26  H    0.001417   2.905677  -0.295801  -0.011267   0.000064  -0.000045
    27  H   -0.023207  -0.295801   1.646441   0.018986   0.000695   0.000719
    28  H   -0.085039  -0.011267   0.018986   3.083958  -0.057093   0.089247
    29  H    0.186446   0.000064   0.000695  -0.057093   0.839052  -0.263203
    30  H    0.343904  -0.000045   0.000719   0.089247  -0.263203   2.042573
    31  H    0.187900   0.000066   0.000721  -0.051960   0.007439  -0.263021
              31
     1  C    0.001359
     2  C    0.005089
     3  C   -0.000085
     4  C   -0.000001
     5  C    0.000084
     6  C   -0.000080
     7  C    0.000402
     8  H   -0.000003
     9  H    0.000004
    10  H   -0.000217
    11  C   -0.000000
    12  C   -0.000000
    13  C   -0.000000
    14  H   -0.000000
    15  H    0.000000
    16  H   -0.000000
    17  H    0.000000
    18  O   -0.000000
    19  O    0.000000
    20  H    0.000000
    21  C   -0.000966
    22  C    0.019868
    23  C    0.008328
    24  O    0.125772
    25  C    0.187900
    26  H    0.000066
    27  H    0.000721
    28  H   -0.051960
    29  H    0.007439
    30  H   -0.263021
    31  H    0.837473
 Mulliken charges:
               1
     1  C   -0.592379
     2  C   -0.767205
     3  C   -0.300443
     4  C   -1.315310
     5  C   -0.108955
     6  C    0.054960
     7  C    0.144863
     8  H    0.479059
     9  H    0.097591
    10  H    0.461593
    11  C   -0.223550
    12  C    1.303906
    13  C    0.732798
    14  H    0.146334
    15  H   -0.007039
    16  H   -0.080953
    17  H   -0.119702
    18  O   -0.488815
    19  O   -0.367828
    20  H    0.240555
    21  C   -0.170706
    22  C    0.050941
    23  C    0.236023
    24  O   -0.825894
    25  C    1.189316
    26  H    0.359152
    27  H    0.058266
    28  H    0.318635
    29  H    0.121693
    30  H   -0.748735
    31  H    0.121828
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.592379
     2  C   -0.767205
     3  C    0.178616
     4  C   -1.315310
     5  C   -0.011364
     6  C    0.516554
     7  C    0.504015
    11  C   -0.077216
    12  C    1.096212
    13  C    0.732798
    18  O   -0.488815
    19  O   -0.127273
    21  C   -0.112440
    22  C    0.050941
    23  C    0.554659
    24  O   -0.825894
    25  C    0.684102
 Electronic spatial extent (au):  <R**2>=           5503.9087
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.2465    Y=              0.3515    Z=             -1.6520  Tot=              5.5117
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -118.2133   YY=            -90.7865   ZZ=           -106.1781
   XY=             13.5100   XZ=            -10.3747   YZ=              1.3064
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -13.1540   YY=             14.2728   ZZ=             -1.1188
   XY=             13.5100   XZ=            -10.3747   YZ=              1.3064
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -205.9333  YYY=              1.3371  ZZZ=              4.4412  XYY=            -10.5024
  XXY=             -6.8713  XXZ=            -41.2283  XZZ=             -6.6168  YZZ=              0.0549
  YYZ=              2.2697  XYZ=              6.0386
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6565.7305 YYYY=           -701.0047 ZZZZ=           -496.9157 XXXY=            364.9658
 XXXZ=           -208.3997 YYYX=             -5.7646 YYYZ=              2.4833 ZZZX=             -7.5276
 ZZZY=              0.3199 XXYY=          -1057.0058 XXZZ=          -1157.0140 YYZZ=           -216.4307
 XXYZ=             14.8729 YYXZ=              1.5768 ZZXY=             12.8565
 N-N= 1.134154638145D+03 E-N=-4.050942889989D+03  KE= 7.590789379311D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:28:57 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.05154310D+00 1.44098662D-01-6.12924232D-01
 Polarizability= 2.76001193D+02-6.98195046D+00 1.60134810D+02
                -1.23090949D+01 1.86295908D+00 1.11988278D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        6.7992    6.7997       -4.7496   -4.7483
 2     -6.7992   -6.7997       -1.0856   -1.0867      -68.6869  -68.6786
 3      4.7496    4.7483       95.5095   95.5090        1.0883    1.0867
 4      1.0856    1.0867       -0.0000    0.0000        4.7496    4.7483
 5    -26.8226  -26.8304       -4.7496   -4.7483        6.8015    6.7997
 6     -1.0883   -1.0867       -6.8015   -6.7997       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -20.3991  -20.3991      -14.2450  -14.2450
 2      3.2601    3.2601        0.0000    0.0000      -14.2450  -14.2450
 3      3.2601    3.2601      -20.3991  -20.3991       -0.0000    0.0000
 4    -20.3991  -20.3991       -3.2601   -3.2601     -206.0359 -206.0359
 5     14.2450   14.2450      286.5271  286.5271        3.2601    3.2601
 6    -80.4912  -80.4912      -14.2450  -14.2450       20.3991   20.3991
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0029    0.0000      -27.0313  -27.1987       19.2845   18.9934
 2     27.2133   27.1987        4.3663    4.3468      274.7197  274.7145
 3    -19.1249  -18.9934     -382.0720 -382.0361       -4.3375   -4.3468
 4     -4.3143   -4.3468       -0.0750    0.0000      -18.8956  -18.9934
 5    107.2965  107.3216       18.9360   18.9934      -27.1343  -27.1987
 6      4.3068    4.3468       27.2946   27.1987        0.0455    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0174    0.0000       87.2864   87.2609      -23.6031  -23.6541
 2    -87.1702  -87.2609      103.5226  103.3713       -7.9973   -8.1411
 3     23.7501   23.6541        1.2067    1.4892     -103.1034 -103.3713
 4   -103.2838 -103.3713       -0.0438    0.0000       23.6342   23.6541
 5      6.7897    6.6519      -23.9255  -23.6541       87.3259   87.2609
 6    103.2942  103.3713      -87.3038  -87.2609        0.0739    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -111.3956 -111.5354       71.3654   71.4845       14.0166   14.0690
 2   -255.1748 -255.3580      109.6712  109.7422       13.9238   14.0690
 3   -255.1740 -255.3580       71.4160   71.4845       39.3398   39.5023
 4    -38.0936  -38.2577      144.0537  143.8226       -8.1849   -8.0961
 5     25.2758   25.4333        1.8832    1.8046     -143.9078 -143.8226
 6      6.6581    6.2915      -26.2497  -25.4333       38.0677   38.2577
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4325   -2.8268   -0.0005    0.0007    0.0007    2.9090
 Low frequencies ---   28.5925   40.9996   45.5087
 Diagonal vibrational polarizability:
       64.2976957      99.7890273      83.6611673
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     28.5920                40.9969                45.5086
 Red. masses --      5.3904                 8.0286                 4.5467
 Frc consts  --      0.0026                 0.0080                 0.0055
 IR Inten    --      2.3576                 6.7175                 0.4206
 RamAct Fr= 1--      4.4567                 1.1010                 2.7365
  Dep-P Fr= 1--      0.7499                 0.7095                 0.7477
  Dep-U Fr= 1--      0.8571                 0.8301                 0.8556
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0001
 Beta2  Fr= 1--      0.6366                 0.1523                 0.3902
 AlphaG Fr= 1--      0.0005                 0.0128                -0.0035
 Gamma2 Fr= 1--      0.5921                -0.8121                 0.8611
 Delta2 Fr= 1--      0.2280                -0.4404                 0.0720
 Raman1 Fr= 1--      17.827                  4.404                 10.946
 ROA1   Fr= 1--      64.137                -92.054                 84.971
 CID1   Fr= 1--       3.598                -20.903                  7.763
 Raman2 Fr= 1--       7.639                  1.828                  4.683
 ROA2   Fr= 1--      12.387                -15.967                 20.090
 CID2   Fr= 1--       1.621                 -8.736                  4.290
 Raman3 Fr= 1--      15.279                  3.656                  9.366
 ROA3   Fr= 1--      64.137                -92.054                 84.971
 CID3   Fr= 1--       4.198                -25.182                  9.073
 RC180  Fr= 1--       0.714                  0.660                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.01  -0.02   0.03    -0.00   0.02  -0.12
     2   6    -0.00   0.02   0.09    -0.03  -0.01   0.04     0.01   0.02  -0.08
     3   6    -0.03   0.04   0.03    -0.00  -0.04   0.03    -0.00   0.03  -0.10
     4   6    -0.01   0.05   0.12    -0.01  -0.05   0.04     0.01   0.04  -0.05
     5   6     0.02   0.04   0.21    -0.04  -0.05   0.06     0.02   0.03  -0.05
     6   6     0.02   0.03   0.21    -0.04  -0.03   0.06     0.02   0.02  -0.06
     7   6    -0.05   0.02  -0.12     0.01  -0.00   0.01    -0.01   0.02  -0.16
     8   1    -0.04   0.05  -0.04     0.01  -0.05   0.02    -0.01   0.03  -0.10
     9   1     0.03   0.05   0.29    -0.05  -0.06   0.06     0.03   0.04  -0.02
    10   1     0.04   0.02   0.28    -0.05  -0.03   0.08     0.03   0.02  -0.04
    11   6    -0.01   0.06   0.06    -0.02  -0.06  -0.01     0.01   0.04   0.05
    12   6    -0.12   0.18  -0.03    -0.05  -0.11  -0.01     0.08   0.14   0.04
    13   6     0.06  -0.08  -0.05     0.08   0.06  -0.02    -0.05  -0.06   0.05
    14   1    -0.01   0.05   0.16    -0.03  -0.05  -0.08     0.02   0.04   0.14
    15   1    -0.11   0.16  -0.08    -0.06  -0.11  -0.05     0.09   0.11   0.13
    16   1    -0.17   0.28   0.05    -0.08  -0.15  -0.02     0.14   0.22   0.05
    17   1    -0.15   0.19  -0.14    -0.06  -0.11   0.03     0.05   0.14  -0.05
    18   8     0.03  -0.14  -0.18     0.26   0.48  -0.03    -0.02   0.00   0.08
    19   8     0.17  -0.14   0.02    -0.04  -0.33  -0.03    -0.14  -0.23   0.03
    20   1     0.18  -0.08   0.12    -0.13  -0.59  -0.04    -0.14  -0.24  -0.00
    21   6    -0.05   0.00  -0.15     0.00   0.02  -0.01    -0.01   0.01  -0.10
    22   6    -0.02  -0.01  -0.06    -0.02   0.03  -0.01     0.01   0.00  -0.01
    23   6    -0.00   0.00   0.06    -0.03   0.01   0.02     0.02   0.01  -0.02
    24   8    -0.03  -0.02  -0.11    -0.03   0.05  -0.05     0.02  -0.01   0.08
    25   6    -0.00  -0.03  -0.03    -0.05   0.06  -0.07     0.05  -0.02   0.29
    26   1    -0.07   0.02  -0.19     0.03  -0.01   0.01    -0.02   0.02  -0.21
    27   1    -0.06  -0.01  -0.25     0.01   0.03  -0.03    -0.01   0.00  -0.11
    28   1     0.02  -0.00   0.13    -0.05   0.02   0.03     0.03   0.00   0.04
    29   1     0.05  -0.10   0.02    -0.03   0.06  -0.06    -0.04  -0.12   0.32
    30   1    -0.01  -0.04  -0.10    -0.06   0.09  -0.11     0.06  -0.03   0.39
    31   1    -0.04   0.05   0.03    -0.10   0.05  -0.06     0.15   0.08   0.31
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.1629               127.4601               139.0871
 Red. masses --      4.0011                 4.4316                 4.0576
 Frc consts  --      0.0218                 0.0424                 0.0462
 IR Inten    --      2.9566                 0.3348                 0.2755
 RamAct Fr= 1--      2.5857                 0.3118                 0.6108
  Dep-P Fr= 1--      0.7159                 0.2944                 0.7460
  Dep-U Fr= 1--      0.8344                 0.4549                 0.8545
 Alpha2 Fr= 1--      0.0015                 0.0033                 0.0000
 Beta2  Fr= 1--      0.3596                 0.0236                 0.0870
 AlphaG Fr= 1--      0.0014                 0.0140                -0.0020
 Gamma2 Fr= 1--     -0.2398                 0.2475                 1.3359
 Delta2 Fr= 1--      0.3499                -0.3008                 1.0620
 Raman1 Fr= 1--      10.343                  1.247                  2.443
 ROA1   Fr= 1--     -11.826                 14.140                162.235
 CID1   Fr= 1--      -1.143                 11.337                 66.398
 Raman2 Fr= 1--       4.315                  0.284                  1.044
 ROA2   Fr= 1--      -8.555                  8.347                 23.567
 CID2   Fr= 1--      -1.983                 29.423                 22.574
 Raman3 Fr= 1--       8.630                  0.567                  2.088
 ROA3   Fr= 1--     -11.826                 14.140                162.235
 CID3   Fr= 1--      -1.370                 24.921                 77.701
 RC180  Fr= 1--       0.669                 -0.090                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.04    -0.02  -0.08  -0.13     0.03  -0.10   0.09
     2   6    -0.03  -0.02  -0.10    -0.04  -0.07  -0.10     0.01  -0.09   0.12
     3   6    -0.00  -0.04   0.13    -0.02  -0.09  -0.08     0.01  -0.09   0.02
     4   6    -0.01  -0.04   0.09    -0.00  -0.08   0.03     0.01  -0.08  -0.07
     5   6    -0.03  -0.03  -0.04    -0.01  -0.08   0.02     0.02  -0.08  -0.06
     6   6    -0.04  -0.02  -0.13    -0.03  -0.07  -0.06     0.02  -0.09   0.06
     7   6    -0.00  -0.02   0.04     0.01  -0.05  -0.13     0.06  -0.06   0.06
     8   1     0.01  -0.04   0.21    -0.03  -0.08  -0.10     0.00  -0.09   0.03
     9   1    -0.04  -0.04  -0.08    -0.01  -0.09   0.08     0.01  -0.08  -0.13
    10   1    -0.05  -0.02  -0.24    -0.02  -0.07  -0.05     0.03  -0.09   0.08
    11   6    -0.01  -0.02   0.06    -0.01   0.01   0.08    -0.01   0.03  -0.04
    12   6    -0.06  -0.01   0.03     0.03   0.16   0.04     0.10   0.21  -0.05
    13   6     0.07   0.02   0.02     0.05   0.02   0.04    -0.04   0.03  -0.03
    14   1    -0.04  -0.02   0.04    -0.10   0.01   0.15    -0.11   0.04   0.05
    15   1    -0.07   0.05  -0.03     0.01   0.27   0.05     0.08   0.30   0.04
    16   1    -0.13  -0.06   0.05    -0.02   0.18   0.08     0.12   0.27  -0.03
    17   1     0.00  -0.02   0.06     0.13   0.16  -0.04     0.19   0.22  -0.18
    18   8     0.07   0.03  -0.04     0.05   0.03  -0.01    -0.04   0.02   0.02
    19   8     0.16   0.08   0.06     0.13   0.06   0.07    -0.09   0.04  -0.05
    20   1     0.15   0.07   0.11     0.12   0.05   0.12    -0.08   0.04  -0.09
    21   6    -0.01  -0.00  -0.04     0.02  -0.02  -0.01     0.05  -0.02  -0.02
    22   6    -0.03   0.00  -0.12    -0.01  -0.01   0.07     0.02  -0.01  -0.01
    23   6    -0.05  -0.00  -0.17    -0.05  -0.04  -0.03    -0.01  -0.05   0.12
    24   8    -0.03   0.02  -0.12    -0.00   0.06   0.24    -0.00   0.08  -0.17
    25   6    -0.03   0.03   0.24    -0.13   0.11  -0.10    -0.10   0.13   0.05
    26   1     0.02  -0.02   0.13     0.04  -0.06  -0.18     0.10  -0.08   0.05
    27   1    -0.00   0.00  -0.02     0.04  -0.00   0.04     0.07  -0.00  -0.09
    28   1    -0.06   0.00  -0.25    -0.08  -0.03   0.00    -0.05  -0.04   0.14
    29   1    -0.18  -0.18   0.32    -0.21   0.35  -0.25    -0.04  -0.09   0.19
    30   1    -0.01   0.05   0.39    -0.12   0.19  -0.03    -0.10   0.23  -0.08
    31   1     0.11   0.22   0.30    -0.16  -0.17  -0.27    -0.23   0.28   0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    187.7822               209.6128               213.2491
 Red. masses --      3.2557                 1.0819                 3.1635
 Frc consts  --      0.0676                 0.0280                 0.0848
 IR Inten    --      0.9679                 0.5582                 2.5538
 RamAct Fr= 1--      0.1982                 0.4223                 8.1235
  Dep-P Fr= 1--      0.1570                 0.3915                 0.3249
  Dep-U Fr= 1--      0.2713                 0.5627                 0.4905
 Alpha2 Fr= 1--      0.0030                 0.0032                 0.0772
 Beta2  Fr= 1--      0.0090                 0.0396                 0.6641
 AlphaG Fr= 1--      0.0062                 0.0047                -0.0282
 Gamma2 Fr= 1--     -0.3358                -0.2088                -0.8034
 Delta2 Fr= 1--      0.0843                -0.0792                -0.4951
 Raman1 Fr= 1--       0.793                  1.689                 32.494
 ROA1   Fr= 1--     -29.537                -22.576                -92.971
 CID1   Fr= 1--     -37.251                -13.366                 -2.861
 Raman2 Fr= 1--       0.108                  0.475                  7.969
 ROA2   Fr= 1--      -8.733                 -4.377                -15.320
 CID2   Fr= 1--     -81.191                 -9.211                 -1.923
 Raman3 Fr= 1--       0.215                  0.950                 15.938
 ROA3   Fr= 1--     -29.537                -22.576                -92.971
 CID3   Fr= 1--    -137.298                -23.755                 -5.833
 RC180  Fr= 1--      -0.457                  0.125                 -0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.08    -0.00   0.00  -0.01     0.03  -0.02   0.06
     2   6     0.01  -0.02  -0.10     0.00   0.00  -0.01     0.01  -0.01   0.01
     3   6    -0.01  -0.01  -0.13    -0.00  -0.00  -0.02     0.02  -0.06   0.12
     4   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.09   0.06
     5   6     0.04  -0.01   0.22     0.00  -0.00   0.02    -0.02  -0.09   0.02
     6   6     0.03  -0.02   0.12    -0.00   0.00   0.01    -0.03  -0.05   0.01
     7   6     0.03  -0.02   0.10     0.00   0.00   0.01     0.07   0.02  -0.03
     8   1    -0.02  -0.00  -0.22    -0.00  -0.00  -0.04     0.07  -0.08   0.15
     9   1     0.07  -0.01   0.44     0.00  -0.00   0.04    -0.03  -0.09  -0.01
    10   1     0.05  -0.03   0.23    -0.00   0.00   0.03    -0.07  -0.04  -0.02
    11   6    -0.00   0.02  -0.02    -0.01   0.01   0.00    -0.06  -0.02   0.00
    12   6    -0.03   0.03  -0.04     0.03   0.00   0.02    -0.15   0.08  -0.07
    13   6    -0.03   0.01  -0.02    -0.01   0.01  -0.00    -0.06   0.01  -0.01
    14   1    -0.01   0.02  -0.01    -0.03   0.02  -0.01    -0.12  -0.02   0.03
    15   1     0.00  -0.09   0.00    -0.10   0.49  -0.21    -0.17   0.16  -0.18
    16   1     0.04   0.16  -0.02    -0.32  -0.44  -0.00    -0.28   0.10   0.01
    17   1    -0.17   0.05  -0.12     0.54  -0.05   0.30    -0.09   0.08  -0.13
    18   8    -0.03   0.00   0.01    -0.02  -0.01  -0.03    -0.05   0.03   0.02
    19   8    -0.06   0.00  -0.03    -0.01  -0.02   0.00    -0.09   0.04  -0.03
    20   1    -0.06   0.01  -0.06    -0.00  -0.01   0.02    -0.10   0.00  -0.06
    21   6     0.04  -0.01   0.18     0.00   0.01   0.02     0.05   0.06  -0.10
    22   6     0.02  -0.01  -0.05     0.00   0.01   0.00     0.05   0.06  -0.03
    23   6    -0.00  -0.01  -0.20     0.00   0.01  -0.01     0.02   0.04  -0.04
    24   8     0.02   0.02  -0.05     0.00   0.00  -0.01     0.07   0.02   0.07
    25   6    -0.01   0.03   0.04     0.01  -0.00   0.00     0.19  -0.03  -0.03
    26   1     0.05  -0.02   0.23     0.01   0.00   0.02     0.11   0.00  -0.06
    27   1     0.06  -0.02   0.38     0.01   0.01   0.04     0.06   0.07  -0.17
    28   1    -0.02  -0.01  -0.30    -0.00   0.01  -0.01    -0.01   0.05  -0.05
    29   1    -0.20   0.03  -0.01     0.03  -0.01   0.01     0.03   0.15  -0.18
    30   1     0.01   0.05   0.24     0.01  -0.01  -0.01     0.21  -0.16   0.25
    31   1     0.14   0.02  -0.04     0.02   0.01   0.01     0.46  -0.15  -0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    220.1036               241.1905               284.6901
 Red. masses --      2.6540                 1.6417                 2.7693
 Frc consts  --      0.0758                 0.0563                 0.1322
 IR Inten    --      1.9403                 0.3960                 1.8887
 RamAct Fr= 1--      2.6737                 1.8430                 2.7212
  Dep-P Fr= 1--      0.6791                 0.2082                 0.4347
  Dep-U Fr= 1--      0.8089                 0.3446                 0.6060
 Alpha2 Fr= 1--      0.0033                 0.0245                 0.0177
 Beta2  Fr= 1--      0.3604                 0.1058                 0.2748
 AlphaG Fr= 1--     -0.0006                -0.0034                -0.0130
 Gamma2 Fr= 1--     -1.7763                 0.4358                 0.5124
 Delta2 Fr= 1--     -0.5965                 0.0773                -0.1067
 Raman1 Fr= 1--      10.695                  7.372                 10.885
 ROA1   Fr= 1--    -189.617                 44.310                 45.779
 CID1   Fr= 1--     -17.730                  6.011                  4.206
 Raman2 Fr= 1--       4.325                  1.270                  3.298
 ROA2   Fr= 1--     -37.860                  9.840                 13.152
 CID2   Fr= 1--      -8.753                  7.747                  3.988
 Raman3 Fr= 1--       8.651                  2.540                  6.596
 ROA3   Fr= 1--    -189.617                 44.310                 45.779
 CID3   Fr= 1--     -21.920                 17.443                  6.940
 RC180  Fr= 1--       0.618                 -0.311                  0.212
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.01   0.02   0.04     0.00   0.01   0.08
     2   6    -0.05   0.03  -0.02    -0.03   0.02   0.05    -0.02   0.02  -0.04
     3   6    -0.01  -0.05  -0.11    -0.00  -0.01  -0.00     0.02  -0.01   0.14
     4   6    -0.04  -0.09  -0.03    -0.00  -0.02  -0.04     0.02  -0.02   0.03
     5   6    -0.08  -0.08  -0.00    -0.04  -0.01  -0.01    -0.01  -0.01   0.09
     6   6    -0.09  -0.01  -0.01    -0.04   0.01   0.06    -0.02   0.01   0.06
     7   6     0.00   0.04   0.02    -0.03   0.01   0.02    -0.02   0.01   0.01
     8   1     0.03  -0.06  -0.15     0.01  -0.01  -0.01     0.04  -0.02   0.18
     9   1    -0.11  -0.10   0.03    -0.06  -0.03  -0.02    -0.02  -0.03   0.14
    10   1    -0.15   0.00   0.02    -0.05   0.02   0.09    -0.03   0.02   0.09
    11   6    -0.03  -0.06   0.02     0.02  -0.02  -0.03     0.03  -0.02  -0.06
    12   6     0.05   0.06   0.02     0.16   0.01   0.02     0.15   0.01  -0.02
    13   6     0.01  -0.02   0.02     0.02  -0.01  -0.02     0.02  -0.00  -0.05
    14   1    -0.08  -0.06   0.07    -0.00  -0.02  -0.01     0.01  -0.01  -0.05
    15   1     0.06   0.04   0.13     0.16   0.03   0.17     0.14   0.06   0.10
    16   1     0.13   0.18   0.03     0.26   0.03  -0.03     0.23   0.01  -0.07
    17   1     0.02   0.07  -0.12     0.19   0.01  -0.01     0.21   0.01  -0.04
    18   8     0.03   0.02  -0.00     0.02  -0.00  -0.02     0.01  -0.01  -0.00
    19   8     0.07   0.03   0.04     0.03   0.00  -0.01    -0.04   0.01  -0.09
    20   1     0.05  -0.00   0.07     0.03   0.00  -0.01    -0.04   0.01  -0.14
    21   6    -0.00   0.07   0.10    -0.04   0.02  -0.02    -0.03   0.01  -0.09
    22   6    -0.02   0.07   0.04    -0.04   0.02  -0.02    -0.04   0.01  -0.06
    23   6    -0.03   0.07   0.04    -0.03   0.03   0.00    -0.04   0.02  -0.16
    24   8    -0.02  -0.01  -0.06    -0.04  -0.01  -0.02    -0.02  -0.02   0.15
    25   6     0.16  -0.09  -0.01     0.01  -0.04  -0.01    -0.02  -0.03   0.01
    26   1     0.03   0.03   0.04    -0.03   0.02   0.02    -0.03   0.01   0.03
    27   1     0.02   0.09   0.17    -0.03   0.03  -0.04    -0.03   0.02  -0.12
    28   1    -0.04   0.07   0.06    -0.03   0.03  -0.04    -0.03   0.02  -0.17
    29   1     0.53  -0.21   0.16    -0.38   0.13  -0.21     0.38  -0.09   0.15
    30   1     0.12  -0.24  -0.37     0.05  -0.10   0.51    -0.06  -0.03  -0.47
    31   1    -0.01   0.12   0.21     0.41  -0.18  -0.29    -0.36   0.04   0.22
                     13                     14                     15
                      A                      A                      A
 Frequencies --    301.0332               382.7621               400.5402
 Red. masses --      4.1729                 4.4356                 5.1402
 Frc consts  --      0.2228                 0.3829                 0.4859
 IR Inten    --     10.1313                 5.9554                 1.1615
 RamAct Fr= 1--      5.5066                 1.4007                 1.1497
  Dep-P Fr= 1--      0.1620                 0.5764                 0.7498
  Dep-U Fr= 1--      0.2788                 0.7313                 0.8570
 Alpha2 Fr= 1--      0.0826                 0.0046                 0.0000
 Beta2  Fr= 1--      0.2559                 0.1707                 0.1642
 AlphaG Fr= 1--      0.1118                 0.0039                -0.0005
 Gamma2 Fr= 1--      1.0093                -1.0913                 1.8522
 Delta2 Fr= 1--      0.3155                 0.0759                 0.5325
 Raman1 Fr= 1--      22.027                  5.603                  4.599
 ROA1   Fr= 1--     106.989               -102.338                194.853
 CID1   Fr= 1--       4.857                -18.266                 42.372
 Raman2 Fr= 1--       3.071                  2.049                  1.970
 ROA2   Fr= 1--      21.699                -26.800                 40.194
 CID2   Fr= 1--       7.066                -13.081                 20.398
 Raman3 Fr= 1--       6.141                  4.097                  3.941
 ROA3   Fr= 1--     106.989               -102.338                194.853
 CID3   Fr= 1--      17.421                -24.976                 49.443
 RC180  Fr= 1--      -0.442                  0.463                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.07  -0.02    -0.08  -0.17  -0.01     0.02   0.04  -0.09
     2   6    -0.01   0.07   0.00    -0.10  -0.16  -0.01     0.01   0.05  -0.10
     3   6     0.06   0.02  -0.03    -0.10  -0.01   0.02     0.05  -0.03   0.13
     4   6     0.05  -0.02   0.01     0.04   0.12   0.04     0.03  -0.06   0.24
     5   6    -0.02   0.00  -0.00     0.04   0.11   0.03     0.01  -0.06   0.19
     6   6    -0.03   0.06  -0.01     0.05  -0.05  -0.05    -0.04   0.02  -0.21
     7   6    -0.04   0.03  -0.00    -0.01  -0.11  -0.02    -0.00   0.03  -0.13
     8   1     0.09   0.01  -0.03    -0.28   0.05   0.04     0.11  -0.05   0.11
     9   1    -0.05  -0.03  -0.01     0.09   0.15   0.04    -0.02  -0.09   0.27
    10   1    -0.06   0.07  -0.01     0.22  -0.11  -0.10    -0.11   0.04  -0.40
    11   6     0.10  -0.12  -0.02     0.10   0.10  -0.02     0.01   0.02   0.02
    12   6    -0.08   0.08  -0.19     0.02  -0.02  -0.02     0.07   0.00   0.08
    13   6     0.12  -0.10   0.03     0.10   0.02  -0.02     0.02   0.04  -0.07
    14   1     0.14  -0.12   0.07     0.15   0.10  -0.05    -0.06   0.03  -0.01
    15   1    -0.14   0.31  -0.44     0.03  -0.07  -0.09     0.08  -0.03   0.21
    16   1    -0.38   0.07  -0.02    -0.00  -0.09  -0.04     0.19  -0.00   0.00
    17   1     0.11   0.07  -0.29    -0.03  -0.02   0.10     0.06   0.00   0.10
    18   8     0.16  -0.04   0.25     0.07  -0.07   0.09    -0.01  -0.02  -0.08
    19   8    -0.02   0.05  -0.06    -0.02  -0.02  -0.09    -0.11   0.02  -0.16
    20   1    -0.02  -0.02  -0.21     0.02   0.06  -0.17    -0.08   0.06  -0.28
    21   6    -0.04  -0.01   0.02    -0.03   0.04   0.02     0.01   0.00   0.10
    22   6    -0.06  -0.02   0.02    -0.08   0.07   0.04     0.01  -0.00   0.16
    23   6    -0.01   0.03   0.03    -0.14  -0.03   0.05     0.04   0.03   0.16
    24   8    -0.06  -0.05  -0.02    -0.09   0.13  -0.01    -0.01  -0.04  -0.12
    25   6    -0.10  -0.05   0.01     0.17   0.03  -0.02    -0.06  -0.03  -0.01
    26   1    -0.10   0.05  -0.00     0.10  -0.15  -0.05    -0.04   0.04  -0.24
    27   1    -0.04  -0.01   0.04     0.04   0.10   0.02     0.01   0.01   0.10
    28   1     0.04   0.01   0.03    -0.24   0.00   0.06     0.06   0.02   0.17
    29   1    -0.18  -0.05  -0.01     0.29   0.11  -0.03    -0.20  -0.07  -0.02
    30   1    -0.09  -0.01   0.07     0.15  -0.24   0.01    -0.04   0.02   0.14
    31   1    -0.07  -0.06  -0.02     0.34   0.12  -0.04     0.03  -0.02  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.4210               453.9502               488.1798
 Red. masses --      3.3123                 5.0447                 2.5703
 Frc consts  --      0.3336                 0.6125                 0.3609
 IR Inten    --      0.0466                 9.4810                13.2523
 RamAct Fr= 1--      2.6135                 5.3656                 0.2660
  Dep-P Fr= 1--      0.7490                 0.1073                 0.6159
  Dep-U Fr= 1--      0.8565                 0.1938                 0.7623
 Alpha2 Fr= 1--      0.0000                 0.0923                 0.0007
 Beta2  Fr= 1--      0.3731                 0.1733                 0.0338
 AlphaG Fr= 1--      0.0039                -0.2029                -0.0061
 Gamma2 Fr= 1--      0.5385                -1.7682                -0.1519
 Delta2 Fr= 1--      0.0459                -0.4782                -0.0073
 Raman1 Fr= 1--      10.454                 21.462                  1.064
 ROA1   Fr= 1--      53.167               -185.046                -14.817
 CID1   Fr= 1--       5.086                 -8.622                -13.924
 Raman2 Fr= 1--       4.477                  2.080                  0.406
 ROA2   Fr= 1--      12.557                -38.610                 -3.587
 CID2   Fr= 1--       2.805                -18.562                 -8.843
 Raman3 Fr= 1--       8.954                  4.160                  0.811
 ROA3   Fr= 1--      53.167               -185.046                -14.817
 CID3   Fr= 1--       5.938                -44.481                -18.266
 RC180  Fr= 1--       0.713                 -0.612                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.08    -0.11   0.05   0.00     0.02  -0.00   0.21
     2   6    -0.00   0.00  -0.04    -0.03  -0.00  -0.02     0.01  -0.00   0.18
     3   6    -0.01   0.00  -0.17    -0.13   0.09   0.04    -0.01   0.01  -0.11
     4   6     0.00  -0.01   0.02    -0.13   0.06   0.03     0.00   0.00   0.03
     5   6     0.01  -0.01   0.14    -0.10   0.07   0.05     0.00   0.00   0.07
     6   6    -0.02   0.00  -0.17    -0.07   0.02  -0.02    -0.01   0.00  -0.11
     7   6     0.02  -0.00   0.24    -0.11   0.04   0.00    -0.01   0.00  -0.10
     8   1    -0.03   0.00  -0.39    -0.15   0.10   0.05    -0.04   0.01  -0.44
     9   1     0.02  -0.01   0.29    -0.06   0.11   0.07    -0.00   0.00  -0.00
    10   1    -0.04   0.01  -0.34    -0.08   0.02  -0.03    -0.04   0.01  -0.42
    11   6     0.00   0.00   0.00    -0.07  -0.16  -0.01     0.00  -0.00  -0.02
    12   6     0.00   0.00   0.00     0.07   0.01  -0.01     0.01  -0.00  -0.03
    13   6     0.00   0.01  -0.00    -0.01  -0.14  -0.03    -0.01   0.01   0.01
    14   1    -0.00   0.00  -0.00     0.04  -0.17   0.09    -0.00  -0.00  -0.04
    15   1     0.00   0.00   0.00     0.03   0.18   0.17     0.01   0.01  -0.03
    16   1     0.00   0.00   0.00     0.13   0.04  -0.03     0.01   0.01  -0.03
    17   1    -0.00   0.00   0.00     0.25   0.00  -0.15     0.02  -0.00  -0.05
    18   8    -0.00  -0.00  -0.00     0.06   0.02   0.03    -0.01   0.00   0.01
    19   8    -0.00  -0.01  -0.00     0.02   0.06  -0.05     0.01  -0.02   0.02
    20   1     0.01   0.03  -0.00    -0.05  -0.18  -0.11     0.03   0.08   0.06
    21   6    -0.02   0.01  -0.20    -0.02  -0.12   0.00     0.00  -0.01   0.05
    22   6    -0.01   0.00  -0.09     0.14  -0.14   0.00     0.01  -0.01   0.08
    23   6     0.01   0.00   0.12     0.05  -0.18   0.01    -0.01  -0.00  -0.12
    24   8     0.00  -0.00   0.05     0.18   0.08  -0.02     0.00   0.00  -0.01
    25   6    -0.00  -0.00   0.00     0.14   0.17  -0.01     0.01   0.01   0.00
    26   1     0.04  -0.01   0.46    -0.17   0.06   0.01    -0.05   0.01  -0.46
    27   1    -0.03   0.01  -0.32    -0.19  -0.29   0.01    -0.02  -0.01  -0.13
    28   1     0.03  -0.00   0.34     0.11  -0.20   0.02    -0.04   0.00  -0.48
    29   1    -0.00   0.04  -0.02     0.12   0.15  -0.01     0.03  -0.02   0.02
    30   1    -0.00  -0.00   0.01     0.14   0.19   0.00     0.00   0.00  -0.04
    31   1    -0.01  -0.04  -0.02     0.14   0.15  -0.01    -0.01   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    498.2907               523.3692               533.2672
 Red. masses --      4.1577                 3.1269                 6.1066
 Frc consts  --      0.6082                 0.5046                 1.0231
 IR Inten    --      4.6455                20.6556                 5.4097
 RamAct Fr= 1--      3.2864                 1.0882                21.8988
  Dep-P Fr= 1--      0.6170                 0.7491                 0.2152
  Dep-U Fr= 1--      0.7631                 0.8566                 0.3542
 Alpha2 Fr= 1--      0.0080                 0.0000                 0.2855
 Beta2  Fr= 1--      0.4180                 0.1554                 1.2928
 AlphaG Fr= 1--      0.0088                 0.0051                -0.1026
 Gamma2 Fr= 1--     -1.4648                 2.3783                -1.7788
 Delta2 Fr= 1--     -0.9063                 0.1595                -0.0402
 Raman1 Fr= 1--      13.145                  4.353                 87.595
 ROA1   Fr= 1--    -169.617                233.420               -172.050
 CID1   Fr= 1--     -12.903                 53.625                 -1.964
 Raman2 Fr= 1--       5.016                  1.864                 15.514
 ROA2   Fr= 1--     -27.904                 55.803                -42.369
 CID2   Fr= 1--      -5.563                 29.933                 -2.731
 Raman3 Fr= 1--      10.032                  3.729                 31.028
 ROA3   Fr= 1--    -169.617                233.420               -172.050
 CID3   Fr= 1--     -16.908                 62.604                 -5.545
 RC180  Fr= 1--       0.526                  0.713                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.02    -0.03   0.07  -0.01    -0.18  -0.01   0.02
     2   6     0.00   0.02   0.11    -0.02   0.07  -0.03     0.09  -0.10  -0.04
     3   6    -0.03  -0.04  -0.12     0.02  -0.09   0.03    -0.18  -0.08   0.04
     4   6    -0.02  -0.05   0.03     0.03  -0.09  -0.02    -0.07  -0.03  -0.02
     5   6    -0.04  -0.06  -0.12    -0.01  -0.09   0.00     0.16  -0.10   0.00
     6   6    -0.04  -0.00   0.07    -0.04   0.05   0.00     0.16  -0.14  -0.03
     7   6    -0.02   0.05   0.03    -0.09   0.05   0.01    -0.17   0.12   0.01
     8   1    -0.00  -0.05  -0.21     0.10  -0.11   0.04    -0.17  -0.08   0.05
     9   1    -0.09  -0.08  -0.26    -0.09  -0.17   0.05     0.27  -0.01   0.04
    10   1    -0.10   0.02   0.04    -0.14   0.08   0.06     0.16  -0.14  -0.01
    11   6    -0.01   0.11   0.13     0.04   0.14  -0.08    -0.05   0.01  -0.06
    12   6    -0.10   0.03   0.23     0.01  -0.01  -0.08     0.03  -0.02  -0.05
    13   6     0.14   0.02  -0.04     0.06   0.18   0.01     0.02   0.00  -0.01
    14   1    -0.10   0.12   0.17    -0.14   0.16  -0.24    -0.05   0.01  -0.09
    15   1    -0.07  -0.10   0.19     0.03  -0.11  -0.15     0.03   0.01   0.03
    16   1    -0.06  -0.07   0.16     0.01  -0.05  -0.10     0.09  -0.04  -0.10
    17   1    -0.20   0.02   0.42    -0.10  -0.01   0.04     0.07  -0.02  -0.05
    18   8     0.12  -0.08   0.01    -0.03  -0.04   0.08     0.02  -0.02   0.09
    19   8    -0.06   0.02  -0.20     0.03  -0.12   0.04     0.05  -0.03   0.00
    20   1     0.02   0.17  -0.42     0.24   0.56   0.18     0.07   0.05   0.06
    21   6    -0.01   0.01  -0.01    -0.05  -0.09   0.00    -0.20   0.26   0.02
    22   6     0.04  -0.01  -0.08     0.01  -0.08   0.01     0.10   0.14   0.02
    23   6     0.02  -0.01  -0.06     0.01  -0.07   0.01     0.09   0.12   0.00
    24   8     0.07  -0.02   0.03     0.01   0.06  -0.01     0.16  -0.10  -0.02
    25   6    -0.00   0.01   0.00     0.06   0.07  -0.00    -0.06  -0.01   0.00
    26   1    -0.02   0.05   0.07    -0.19   0.08   0.03    -0.01   0.07  -0.03
    27   1    -0.05  -0.04   0.06    -0.14  -0.18   0.01    -0.27   0.19  -0.00
    28   1     0.02  -0.01  -0.10     0.11  -0.10   0.04    -0.14   0.19   0.02
    29   1    -0.01  -0.00   0.01     0.10   0.09  -0.01    -0.21  -0.10   0.01
    30   1    -0.00   0.09  -0.03     0.06  -0.00   0.00    -0.03   0.27   0.01
    31   1    -0.07  -0.02   0.01     0.11   0.09  -0.01    -0.20  -0.09   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    541.2006               580.8898               602.8317
 Red. masses --      4.3388                 1.3160                 2.7651
 Frc consts  --      0.7488                 0.2616                 0.5920
 IR Inten    --      6.1101                55.5290                 1.3165
 RamAct Fr= 1--      3.6199                 1.4590                 2.5562
  Dep-P Fr= 1--      0.6677                 0.5526                 0.5270
  Dep-U Fr= 1--      0.8007                 0.7119                 0.6903
 Alpha2 Fr= 1--      0.0053                 0.0055                 0.0111
 Beta2  Fr= 1--      0.4831                 0.1731                 0.2941
 AlphaG Fr= 1--      0.0264                 0.1071                -0.0007
 Gamma2 Fr= 1--      1.8368                 1.5559                -0.3407
 Delta2 Fr= 1--      0.2312                 0.2414                -0.0013
 Raman1 Fr= 1--      14.479                  5.836                 10.225
 ROA1   Fr= 1--     183.733                157.088                -32.745
 CID1   Fr= 1--      12.689                 26.916                 -3.202
 Raman2 Fr= 1--       5.797                  2.077                  3.529
 ROA2   Fr= 1--      42.234                 35.410                 -8.166
 CID2   Fr= 1--       7.286                 17.046                 -2.314
 Raman3 Fr= 1--      11.594                  4.155                  7.058
 ROA3   Fr= 1--     183.733                157.088                -32.745
 CID3   Fr= 1--      15.847                 37.811                 -4.640
 RC180  Fr= 1--       0.601                  0.424                  0.381
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07   0.00     0.01  -0.00  -0.01     0.02   0.00   0.10
     2   6     0.11   0.04   0.02     0.03  -0.01   0.00    -0.00   0.01  -0.16
     3   6     0.05  -0.05  -0.03     0.01   0.04   0.00     0.01   0.00   0.01
     4   6     0.06  -0.08   0.01    -0.02   0.02   0.02    -0.02  -0.00  -0.20
     5   6     0.20  -0.10  -0.03     0.01   0.02  -0.01     0.01  -0.01   0.01
     6   6     0.17   0.01  -0.01     0.03  -0.02   0.00     0.00  -0.00  -0.01
     7   6    -0.17  -0.01   0.02    -0.00  -0.03  -0.00     0.01  -0.01   0.05
     8   1     0.17  -0.08  -0.06     0.00   0.04  -0.02     0.04  -0.00   0.19
     9   1     0.20  -0.10  -0.07     0.05   0.05  -0.03     0.04  -0.02   0.41
    10   1     0.11   0.03  -0.03     0.05  -0.03   0.00     0.02  -0.01   0.36
    11   6     0.02  -0.08   0.07    -0.03  -0.09   0.03    -0.02   0.02   0.03
    12   6    -0.02  -0.00   0.05    -0.00  -0.00   0.01    -0.05   0.02   0.08
    13   6    -0.04  -0.07   0.01    -0.02  -0.05  -0.00     0.01  -0.05  -0.01
    14   1     0.05  -0.08   0.15     0.03  -0.09   0.04    -0.02   0.01   0.11
    15   1    -0.03   0.02   0.01    -0.02   0.07   0.06    -0.04  -0.02   0.04
    16   1    -0.07   0.05   0.11    -0.00   0.05   0.04    -0.07  -0.03   0.07
    17   1    -0.02   0.00  -0.02     0.06   0.00  -0.08    -0.09   0.02   0.15
    18   8    -0.01   0.03  -0.09     0.02   0.04  -0.02     0.04   0.00   0.01
    19   8    -0.04   0.07   0.00    -0.03  -0.04  -0.02     0.01   0.01  -0.03
    20   1    -0.18  -0.38  -0.09     0.29   0.92   0.02     0.05   0.11  -0.06
    21   6    -0.17  -0.07   0.01    -0.01  -0.00   0.00     0.00  -0.01  -0.06
    22   6    -0.09  -0.04  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.24
    23   6     0.04   0.01  -0.01     0.01   0.02   0.00     0.01   0.01  -0.02
    24   8    -0.14   0.14   0.02    -0.02   0.01   0.01    -0.02   0.01  -0.05
    25   6     0.08   0.08  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.30   0.03   0.04     0.00  -0.03   0.02    -0.03   0.00  -0.25
    27   1    -0.21  -0.11   0.03     0.01   0.02   0.04    -0.03   0.01  -0.54
    28   1     0.14  -0.02  -0.03     0.01   0.02   0.02    -0.00   0.01  -0.26
    29   1     0.23   0.16  -0.01     0.01   0.01  -0.00    -0.01  -0.02   0.01
    30   1     0.05  -0.20  -0.01    -0.00  -0.03  -0.00    -0.00  -0.03   0.02
    31   1     0.22   0.16  -0.02     0.01   0.00  -0.00     0.04   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --    641.7999               682.4313               694.9994
 Red. masses --      5.1592                 5.2859                 3.7677
 Frc consts  --      1.2521                 1.4504                 1.0723
 IR Inten    --      1.3005                 3.6626                 9.0598
 RamAct Fr= 1--      1.2242                 1.0268                 0.1808
  Dep-P Fr= 1--      0.7493                 0.1649                 0.3194
  Dep-U Fr= 1--      0.8567                 0.2831                 0.4841
 Alpha2 Fr= 1--      0.0000                 0.0153                 0.0017
 Beta2  Fr= 1--      0.1748                 0.0484                 0.0146
 AlphaG Fr= 1--     -0.0017                -0.0339                 0.0045
 Gamma2 Fr= 1--      0.6859                -0.0824                -0.4757
 Delta2 Fr= 1--     -0.2885                 0.0425                -0.3668
 Raman1 Fr= 1--       4.897                  4.107                  0.723
 ROA1   Fr= 1--      56.617                 -6.547                -57.403
 CID1   Fr= 1--      11.562                 -1.594                -79.368
 Raman2 Fr= 1--       2.098                  0.581                  0.175
 ROA2   Fr= 1--      18.770                 -2.317                 -8.482
 CID2   Fr= 1--       8.949                 -3.986                -48.445
 Raman3 Fr= 1--       4.195                  1.163                  0.350
 ROA3   Fr= 1--      56.617                 -6.547                -57.403
 CID3   Fr= 1--      13.496                 -5.631               -163.932
 RC180  Fr= 1--       0.713                 -0.434                 -0.032
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.03  -0.01    -0.06   0.02   0.07    -0.04   0.02  -0.11
     2   6     0.16   0.00   0.00    -0.06   0.03   0.04    -0.02   0.01  -0.03
     3   6     0.05   0.18   0.02    -0.07  -0.14   0.06    -0.06  -0.04  -0.06
     4   6    -0.15   0.02   0.01    -0.01  -0.03  -0.16    -0.00  -0.02   0.25
     5   6    -0.04  -0.05   0.02     0.16   0.00   0.06     0.08   0.01  -0.09
     6   6    -0.00  -0.18  -0.02     0.10   0.18  -0.09     0.08   0.08   0.10
     7   6     0.01  -0.12  -0.02     0.10   0.18  -0.10     0.08   0.10   0.12
     8   1     0.12   0.15  -0.02    -0.05  -0.14   0.13    -0.06  -0.05  -0.22
     9   1     0.10   0.09  -0.03     0.12  -0.05   0.28     0.05   0.02  -0.49
    10   1    -0.07  -0.15  -0.07     0.12   0.18  -0.09     0.09   0.07  -0.02
    11   6    -0.21   0.05  -0.10    -0.11   0.01  -0.04    -0.08  -0.04  -0.03
    12   6    -0.04   0.02   0.04    -0.05   0.02   0.07     0.01  -0.02  -0.03
    13   6    -0.00   0.04  -0.11    -0.09  -0.13  -0.09    -0.03   0.02  -0.05
    14   1    -0.29   0.06  -0.13    -0.06  -0.00   0.12    -0.08  -0.04  -0.09
    15   1    -0.03   0.06   0.35    -0.05   0.02   0.20    -0.01   0.08   0.19
    16   1     0.21  -0.10  -0.17     0.05  -0.08  -0.04     0.13   0.01  -0.09
    17   1     0.09   0.00   0.14    -0.02   0.01   0.18     0.15  -0.02  -0.11
    18   8    -0.02  -0.03   0.20    -0.01   0.05   0.11    -0.04   0.01   0.06
    19   8     0.15  -0.05  -0.09     0.10  -0.01  -0.07     0.05  -0.02  -0.04
    20   1     0.04  -0.28   0.13     0.10   0.08   0.13     0.03  -0.03   0.10
    21   6    -0.00  -0.07   0.01     0.15   0.01   0.06     0.08   0.01  -0.10
    22   6    -0.05  -0.00  -0.04    -0.02  -0.03  -0.16     0.01  -0.02   0.20
    23   6     0.12   0.11   0.00    -0.08  -0.12   0.05    -0.04  -0.07  -0.06
    24   8    -0.11   0.06   0.02    -0.07   0.01   0.03    -0.06   0.02  -0.02
    25   6    -0.01   0.00   0.00    -0.03  -0.06   0.00    -0.02  -0.04  -0.00
    26   1    -0.05  -0.10   0.03     0.13   0.17  -0.05     0.09   0.10   0.11
    27   1     0.08  -0.00   0.10     0.14  -0.03   0.35     0.04  -0.00  -0.41
    28   1     0.21   0.08   0.05    -0.03  -0.14   0.26    -0.04  -0.07  -0.31
    29   1     0.08   0.05  -0.00     0.03  -0.01  -0.01     0.01  -0.04   0.00
    30   1    -0.02  -0.14  -0.00    -0.03  -0.13  -0.00    -0.02  -0.10   0.00
    31   1     0.07   0.04  -0.01     0.01  -0.05  -0.01     0.03   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    748.6629               781.5258               791.4097
 Red. masses --      5.7687                 2.6690                 3.3700
 Frc consts  --      1.9050                 0.9605                 1.2436
 IR Inten    --      6.7702                 0.7127                 0.5641
 RamAct Fr= 1--     40.1412                 6.3911                22.8092
  Dep-P Fr= 1--      0.0679                 0.1109                 0.0967
  Dep-U Fr= 1--      0.1272                 0.1997                 0.1764
 Alpha2 Fr= 1--      0.7596                 0.1089                 0.4025
 Beta2  Fr= 1--      0.8510                 0.2127                 0.6707
 AlphaG Fr= 1--     -0.3268                -0.0915                 0.3267
 Gamma2 Fr= 1--     -2.1801                 0.6831                 1.8230
 Delta2 Fr= 1--      0.2809                 0.6995                 0.1389
 Raman1 Fr= 1--     160.565                 25.564                 91.237
 ROA1   Fr= 1--    -200.300                 87.957                179.450
 CID1   Fr= 1--      -1.247                  3.441                  1.967
 Raman2 Fr= 1--      10.212                  2.553                  8.048
 ROA2   Fr= 1--     -54.570                 10.798                 42.640
 CID2   Fr= 1--      -5.343                  4.230                  5.298
 Raman3 Fr= 1--      20.425                  5.105                 16.096
 ROA3   Fr= 1--    -200.300                 87.957                179.450
 CID3   Fr= 1--      -9.807                 17.229                 11.149
 RC180  Fr= 1--      -0.746                 -0.601                 -0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11   0.06     0.01  -0.04   0.20    -0.02  -0.06  -0.09
     2   6     0.05  -0.07  -0.03    -0.02   0.03  -0.20     0.02   0.07   0.11
     3   6    -0.08   0.12   0.00    -0.02  -0.03  -0.04    -0.08  -0.07   0.02
     4   6    -0.13   0.02  -0.04    -0.00  -0.01   0.09    -0.06  -0.02  -0.08
     5   6     0.01  -0.05  -0.02     0.01   0.03  -0.09     0.05   0.05   0.03
     6   6     0.04  -0.20  -0.03     0.03   0.09   0.05     0.04   0.19  -0.06
     7   6     0.09   0.28  -0.02    -0.00  -0.07  -0.03     0.01  -0.15   0.00
     8   1    -0.02   0.10   0.05    -0.07  -0.02  -0.35    -0.10  -0.06   0.26
     9   1     0.21   0.11   0.15    -0.00   0.01  -0.02     0.03   0.02   0.20
    10   1     0.04  -0.21   0.12     0.05   0.09   0.28     0.02   0.20   0.01
    11   6    -0.03  -0.05   0.01    -0.05  -0.06  -0.00    -0.12  -0.10  -0.02
    12   6     0.02  -0.03  -0.05    -0.01  -0.01   0.01    -0.04  -0.02   0.01
    13   6     0.18   0.15   0.14     0.04   0.07   0.01     0.12   0.14   0.07
    14   1    -0.12  -0.03  -0.22    -0.09  -0.05  -0.12    -0.23  -0.08  -0.27
    15   1    -0.00   0.07  -0.00    -0.04   0.10   0.13    -0.08   0.18   0.25
    16   1     0.02   0.08   0.00     0.03   0.07   0.02     0.07   0.12   0.02
    17   1     0.09  -0.02  -0.22     0.10  -0.01  -0.14     0.17  -0.01  -0.23
    18   8     0.09  -0.10  -0.10    -0.00  -0.02  -0.00     0.05  -0.07  -0.03
    19   8    -0.13   0.01   0.10    -0.01  -0.01  -0.00    -0.05  -0.01   0.04
    20   1    -0.10  -0.06  -0.28    -0.02  -0.06  -0.03    -0.05  -0.07  -0.16
    21   6     0.14   0.01   0.02     0.00  -0.01   0.10     0.01  -0.03  -0.05
    22   6     0.01  -0.04  -0.04    -0.01   0.01  -0.08    -0.01   0.01   0.02
    23   6     0.01  -0.12   0.01     0.01   0.03  -0.00     0.04   0.08   0.02
    24   8    -0.15   0.06   0.02     0.02  -0.01  -0.00     0.02  -0.01   0.00
    25   6    -0.05  -0.07   0.00     0.01   0.01  -0.00     0.00   0.01   0.00
    26   1     0.07   0.29  -0.09    -0.01  -0.07  -0.39     0.08  -0.17   0.18
    27   1     0.04  -0.08   0.03     0.03   0.03  -0.15     0.12   0.06   0.11
    28   1     0.05  -0.14   0.08     0.07   0.02   0.59     0.06   0.08  -0.39
    29   1     0.06  -0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.00   0.00
    30   1    -0.06  -0.27   0.00     0.01   0.03   0.03     0.00   0.04  -0.02
    31   1     0.06  -0.02  -0.01    -0.01  -0.01  -0.01    -0.01   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.4460               827.9605               834.5613
 Red. masses --      2.7915                 1.4916                 1.7777
 Frc consts  --      1.0910                 0.6025                 0.7295
 IR Inten    --     13.6835                 9.1212                 9.6949
 RamAct Fr= 1--      3.4438                 0.4851                 0.8660
  Dep-P Fr= 1--      0.5880                 0.7229                 0.2698
  Dep-U Fr= 1--      0.7406                 0.8392                 0.4249
 Alpha2 Fr= 1--      0.0104                 0.0002                 0.0097
 Beta2  Fr= 1--      0.4251                 0.0679                 0.0613
 AlphaG Fr= 1--     -0.0176                 0.0039                -0.1148
 Gamma2 Fr= 1--      1.1596                -1.5750                -0.4826
 Delta2 Fr= 1--      0.0976                -0.2489                -0.2289
 Raman1 Fr= 1--      13.775                  1.941                  3.464
 ROA1   Fr= 1--     114.443               -159.162                -53.650
 CID1   Fr= 1--       8.308                -82.019                -15.488
 Raman2 Fr= 1--       5.101                  0.814                  0.736
 ROA2   Fr= 1--      27.049                -35.808                 -9.751
 CID2   Fr= 1--       5.303                -43.977                -13.250
 Raman3 Fr= 1--      10.202                  1.628                  1.472
 ROA3   Fr= 1--     114.443               -159.162                -53.650
 CID3   Fr= 1--      11.218                -97.738                -36.451
 RC180  Fr= 1--       0.481                  0.678                 -0.150
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.00    -0.01  -0.01   0.06     0.02   0.00   0.08
     2   6    -0.05  -0.06   0.05     0.01   0.02  -0.02    -0.02  -0.02  -0.06
     3   6     0.11   0.06  -0.03    -0.03  -0.01   0.01     0.04   0.02   0.03
     4   6     0.06  -0.01   0.02    -0.01   0.00   0.09     0.01  -0.00  -0.07
     5   6     0.00   0.04  -0.05    -0.01  -0.01  -0.09     0.01   0.01   0.04
     6   6     0.01  -0.03  -0.07    -0.01   0.00  -0.05     0.01  -0.00   0.06
     7   6    -0.03   0.05   0.01     0.00  -0.01  -0.06    -0.02   0.01  -0.09
     8   1     0.17   0.04   0.11    -0.07  -0.00  -0.30     0.05   0.02  -0.28
     9   1     0.06   0.05   0.39     0.02  -0.03   0.35    -0.01   0.02  -0.26
    10   1     0.16  -0.08   0.38     0.00   0.00   0.52     0.02  -0.01  -0.31
    11   6     0.04  -0.14   0.05     0.00   0.04  -0.01    -0.01  -0.04  -0.01
    12   6    -0.02  -0.02   0.08     0.02   0.00  -0.04    -0.02   0.00   0.04
    13   6    -0.01   0.16  -0.05    -0.01  -0.05  -0.00     0.02   0.04   0.01
    14   1    -0.00  -0.12  -0.14     0.03   0.04   0.08    -0.04  -0.03  -0.07
    15   1    -0.06   0.15   0.04     0.03  -0.05  -0.03    -0.04   0.05   0.05
    16   1    -0.14   0.22   0.28     0.05  -0.08  -0.10    -0.04   0.06   0.08
    17   1     0.07   0.01  -0.25    -0.02  -0.01   0.07     0.01   0.01  -0.05
    18   8    -0.10   0.00   0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
    19   8     0.07  -0.04  -0.09    -0.01   0.01   0.02     0.00  -0.01  -0.01
    20   1     0.02  -0.11   0.11    -0.01   0.01   0.00    -0.00  -0.02  -0.01
    21   6    -0.05   0.05   0.00     0.01  -0.01  -0.06    -0.03   0.02  -0.09
    22   6    -0.00   0.01  -0.04     0.00  -0.00   0.01     0.01   0.00   0.12
    23   6    -0.09  -0.08   0.05     0.03   0.02   0.06    -0.04  -0.02  -0.05
    24   8     0.04  -0.02   0.01    -0.01   0.01   0.00     0.01  -0.01  -0.03
    25   6     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    26   1    -0.06   0.06  -0.01     0.04  -0.02   0.34     0.02   0.00   0.55
    27   1    -0.09   0.01   0.05     0.06  -0.02   0.40     0.02  -0.00   0.53
    28   1    -0.22  -0.04  -0.30     0.02   0.02  -0.38    -0.06  -0.02   0.25
    29   1    -0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    30   1     0.02   0.06  -0.02    -0.01  -0.02  -0.01     0.01   0.03   0.02
    31   1    -0.02  -0.01   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    867.9941               883.5904               915.1010
 Red. masses --      3.0791                 1.8318                 1.5449
 Frc consts  --      1.3668                 0.8426                 0.7623
 IR Inten    --      6.3848                34.2662                13.0548
 RamAct Fr= 1--     30.0775                 2.1398                 0.7237
  Dep-P Fr= 1--      0.1067                 0.4788                 0.2596
  Dep-U Fr= 1--      0.1928                 0.6475                 0.4122
 Alpha2 Fr= 1--      0.5180                 0.0116                 0.0083
 Beta2  Fr= 1--      0.9665                 0.2309                 0.0497
 AlphaG Fr= 1--      0.3462                -0.1418                -0.0101
 Gamma2 Fr= 1--      0.6059                -0.0199                -0.2663
 Delta2 Fr= 1--     -0.1601                 0.2377                -0.0459
 Raman1 Fr= 1--     120.310                  8.559                  2.895
 ROA1   Fr= 1--      53.040                  5.691                -27.036
 CID1   Fr= 1--       0.441                  0.665                 -9.340
 Raman2 Fr= 1--      11.598                  2.771                  0.597
 ROA2   Fr= 1--      15.822                 -2.380                 -6.025
 CID2   Fr= 1--       1.364                 -0.859                -10.098
 Raman3 Fr= 1--      23.196                  5.542                  1.193
 ROA3   Fr= 1--      53.040                  5.691                -27.036
 CID3   Fr= 1--       2.287                  1.027                -22.658
 RC180  Fr= 1--      -0.614                  0.295                 -0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.03     0.00   0.00  -0.05     0.01   0.00   0.09
     2   6    -0.08  -0.04  -0.01     0.00  -0.01   0.14    -0.01   0.00  -0.03
     3   6     0.16   0.08   0.01     0.01   0.01   0.00    -0.01   0.01  -0.17
     4   6     0.03  -0.03   0.02     0.00  -0.00   0.04     0.00  -0.00   0.07
     5   6     0.05  -0.01  -0.01     0.00  -0.00  -0.06     0.01  -0.01  -0.00
     6   6     0.03   0.01  -0.01    -0.00   0.00  -0.08     0.01   0.00   0.02
     7   6    -0.03  -0.01   0.02    -0.00  -0.00   0.02    -0.00  -0.00  -0.02
     8   1     0.31   0.03  -0.19     0.03   0.00   0.04     0.10  -0.01   0.90
     9   1     0.05  -0.00  -0.04     0.04  -0.01   0.45     0.01  -0.01  -0.02
    10   1     0.15  -0.02   0.06     0.03  -0.00   0.28    -0.01   0.01  -0.07
    11   6    -0.15   0.06  -0.10    -0.02   0.01  -0.00    -0.01   0.02   0.01
    12   6    -0.06   0.03  -0.03     0.00   0.00  -0.02     0.00  -0.00  -0.03
    13   6     0.04  -0.08   0.03     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    14   1    -0.23   0.06  -0.04    -0.03   0.01   0.02    -0.02   0.02   0.02
    15   1    -0.04   0.02   0.34     0.00  -0.01   0.04     0.01  -0.02   0.04
    16   1     0.27  -0.18  -0.34     0.05  -0.04  -0.07     0.06  -0.05  -0.09
    17   1     0.07  -0.00   0.20     0.01  -0.00   0.03     0.02  -0.01   0.02
    18   8     0.09  -0.02  -0.02     0.01  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.06   0.03   0.09    -0.01   0.00   0.01    -0.01   0.00   0.01
    20   1    -0.03   0.04  -0.09    -0.01  -0.00  -0.00     0.01   0.03   0.01
    21   6    -0.05   0.03   0.03    -0.01   0.00  -0.02    -0.00  -0.00  -0.04
    22   6    -0.03   0.02  -0.04     0.00   0.00   0.09    -0.00   0.00   0.02
    23   6    -0.15  -0.08   0.06    -0.03  -0.00  -0.17    -0.02  -0.00   0.01
    24   8     0.07  -0.05   0.00     0.01  -0.00  -0.02     0.01  -0.01  -0.01
    25   6     0.03   0.03  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.11   0.02  -0.08    -0.01  -0.00   0.04    -0.02  -0.00  -0.01
    27   1    -0.06   0.04  -0.11    -0.00   0.00  -0.00     0.03  -0.00   0.31
    28   1    -0.33  -0.02  -0.20     0.04  -0.02   0.79    -0.03   0.00   0.02
    29   1    -0.04  -0.01   0.00    -0.01   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.05   0.15  -0.01     0.01   0.02   0.03     0.01   0.02   0.00
    31   1    -0.04  -0.01   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.1285               963.4878               974.7275
 Red. masses --      4.2768                 1.3055                 1.3530
 Frc consts  --      2.2700                 0.7140                 0.7574
 IR Inten    --     25.2590                 0.2282                 0.4546
 RamAct Fr= 1--      0.5769                 1.3001                 1.6915
  Dep-P Fr= 1--      0.7292                 0.7273                 0.3670
  Dep-U Fr= 1--      0.8434                 0.8422                 0.5370
 Alpha2 Fr= 1--      0.0002                 0.0005                 0.0140
 Beta2  Fr= 1--      0.0811                 0.1825                 0.1514
 AlphaG Fr= 1--     -0.0002                 0.0217                -0.1483
 Gamma2 Fr= 1--     -1.5978                -0.0594                -1.7812
 Delta2 Fr= 1--      0.7137                -0.1490                -0.2218
 Raman1 Fr= 1--       2.307                  5.200                  6.766
 ROA1   Fr= 1--    -130.552                -10.467               -178.091
 CID1   Fr= 1--     -56.579                 -2.013                -26.321
 Raman2 Fr= 1--       0.973                  2.190                  1.817
 ROA2   Fr= 1--     -44.057                 -0.233                -40.973
 CID2   Fr= 1--     -45.277                 -0.106                -22.555
 Raman3 Fr= 1--       1.946                  4.379                  3.633
 ROA3   Fr= 1--    -130.552                -10.467               -178.091
 CID3   Fr= 1--     -67.083                 -2.390                -49.019
 RC180  Fr= 1--       0.687                  0.684                  0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07   0.00     0.00  -0.00   0.02     0.00  -0.01  -0.01
     2   6     0.09  -0.06  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.02
     3   6     0.08  -0.18  -0.03     0.00  -0.00  -0.03     0.01   0.01   0.02
     4   6     0.13  -0.02   0.01     0.00  -0.00   0.01    -0.01  -0.00   0.01
     5   6    -0.17   0.24   0.03    -0.00   0.00  -0.01    -0.01   0.00  -0.12
     6   6    -0.04  -0.01  -0.01     0.00   0.00   0.01     0.01   0.01   0.11
     7   6    -0.03   0.06   0.01    -0.01   0.00  -0.12     0.00  -0.01   0.02
     8   1     0.11  -0.19   0.08     0.02  -0.01   0.15     0.01   0.01  -0.06
     9   1    -0.26   0.17  -0.03     0.00   0.00   0.09     0.04  -0.02   0.69
    10   1     0.22  -0.08   0.08    -0.00   0.00  -0.06    -0.07   0.03  -0.67
    11   6    -0.04  -0.01  -0.08    -0.00   0.00   0.00    -0.01  -0.00   0.01
    12   6    -0.07   0.02   0.02     0.00  -0.00  -0.01     0.01   0.00  -0.02
    13   6     0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    14   1    -0.13   0.00  -0.11    -0.01   0.00   0.01    -0.03  -0.00   0.05
    15   1    -0.08   0.09   0.31     0.00  -0.00   0.01     0.01  -0.02  -0.02
    16   1     0.13  -0.03  -0.13     0.01  -0.01  -0.02     0.01  -0.03  -0.03
    17   1     0.07   0.01   0.09     0.00  -0.00   0.01    -0.02  -0.00   0.03
    18   8     0.02  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.02   0.01   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.02   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.12   0.16   0.00     0.01   0.00   0.10    -0.01   0.03  -0.01
    22   6     0.09  -0.04  -0.01     0.00  -0.00  -0.01     0.01  -0.00  -0.00
    23   6     0.17  -0.10  -0.02     0.00  -0.00  -0.00     0.01  -0.03   0.02
    24   8    -0.08   0.08   0.01    -0.00   0.00   0.01    -0.00   0.01   0.00
    25   6    -0.06  -0.06   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1     0.16   0.01  -0.06     0.07  -0.02   0.73     0.03  -0.02  -0.09
    27   1    -0.24   0.04   0.09    -0.06   0.02  -0.64    -0.00   0.04   0.04
    28   1     0.32  -0.15  -0.01     0.01  -0.01  -0.01     0.02  -0.03  -0.07
    29   1     0.07   0.01   0.00     0.00   0.00   0.00     0.01  -0.00   0.00
    30   1    -0.08  -0.26   0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
    31   1     0.07   0.01  -0.01     0.00  -0.00   0.00     0.01   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.3063              1012.6412              1061.8872
 Red. masses --      3.3120                 1.7481                 4.7693
 Frc consts  --      1.8829                 1.0561                 3.1686
 IR Inten    --      0.6264                 6.9001                53.3683
 RamAct Fr= 1--     19.0473                 5.6952                 3.6359
  Dep-P Fr= 1--      0.1329                 0.1711                 0.2625
  Dep-U Fr= 1--      0.2346                 0.2922                 0.4159
 Alpha2 Fr= 1--      0.3074                 0.0834                 0.0416
 Beta2  Fr= 1--      0.7447                 0.2774                 0.2520
 AlphaG Fr= 1--      0.0716                 0.0741                 0.0088
 Gamma2 Fr= 1--      1.4861                -0.8889                 0.1878
 Delta2 Fr= 1--      0.5324                -1.5477                 0.0555
 Raman1 Fr= 1--      76.189                 22.781                 14.544
 ROA1   Fr= 1--     159.702               -134.862                 19.805
 CID1   Fr= 1--       2.096                 -5.920                  1.362
 Raman2 Fr= 1--       8.937                  3.328                  3.024
 ROA2   Fr= 1--      31.407                 -8.953                  4.064
 CID2   Fr= 1--       3.514                 -2.690                  1.344
 Raman3 Fr= 1--      17.873                  6.656                  6.048
 ROA3   Fr= 1--     159.702               -134.862                 19.805
 CID3   Fr= 1--       8.935                -20.260                  3.274
 RC180  Fr= 1--      -0.531                 -0.416                 -0.168
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.00     0.02   0.01  -0.00    -0.02   0.01   0.00
     2   6    -0.02  -0.02  -0.00     0.01  -0.02  -0.00    -0.04  -0.04   0.00
     3   6    -0.01  -0.16  -0.00     0.01  -0.03   0.01     0.02   0.04  -0.00
     4   6     0.08   0.01   0.00    -0.05  -0.06  -0.02     0.01  -0.01  -0.00
     5   6    -0.04   0.14  -0.03    -0.02   0.10   0.02     0.01  -0.02  -0.00
     6   6     0.01  -0.13   0.03     0.03   0.01  -0.01     0.00   0.03   0.00
     7   6    -0.00   0.12   0.00    -0.01   0.01   0.00    -0.08  -0.06   0.01
     8   1    -0.01  -0.17   0.00     0.12  -0.07  -0.05     0.06   0.03   0.00
     9   1     0.07   0.21   0.21     0.04   0.17  -0.08    -0.05  -0.08   0.00
    10   1     0.25  -0.21  -0.20     0.22  -0.04   0.01     0.04   0.02  -0.00
    11   6     0.00   0.00  -0.05    -0.06  -0.06   0.11     0.00  -0.01  -0.01
    12   6    -0.05  -0.00   0.03     0.08   0.03  -0.10    -0.01   0.01   0.00
    13   6    -0.00  -0.02  -0.00     0.02   0.06   0.02     0.00   0.00  -0.00
    14   1     0.06   0.00  -0.15    -0.39  -0.04   0.47    -0.02  -0.01   0.02
    15   1    -0.07   0.12   0.22     0.15  -0.31  -0.33     0.00  -0.02   0.02
    16   1     0.06   0.06  -0.00    -0.02  -0.24  -0.18     0.01  -0.02  -0.03
    17   1     0.10  -0.01  -0.06    -0.20   0.02   0.27    -0.01   0.01   0.05
    18   8     0.01   0.00  -0.00    -0.02  -0.01   0.00    -0.00  -0.00  -0.00
    19   8    -0.01   0.00   0.02     0.01  -0.01  -0.03    -0.00  -0.00   0.00
    20   1    -0.01   0.00   0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    21   6     0.08  -0.22  -0.01     0.00  -0.02  -0.00     0.03  -0.12  -0.01
    22   6    -0.07   0.01   0.00    -0.01   0.00   0.00     0.18   0.11  -0.01
    23   6    -0.02   0.22   0.01    -0.01   0.02   0.00    -0.03   0.06   0.00
    24   8     0.03  -0.05  -0.00     0.00  -0.01  -0.00     0.10   0.30  -0.00
    25   6     0.04   0.05  -0.00     0.01   0.01  -0.00    -0.11  -0.33   0.00
    26   1    -0.36   0.23   0.03    -0.07   0.03   0.00    -0.33   0.01   0.03
    27   1    -0.03  -0.33  -0.01     0.00  -0.02   0.00    -0.20  -0.35   0.01
    28   1    -0.15   0.26   0.00    -0.05   0.03   0.01    -0.43   0.18   0.04
    29   1    -0.03   0.01  -0.00    -0.00   0.00  -0.00    -0.12  -0.25  -0.02
    30   1     0.05   0.15  -0.00     0.01   0.02  -0.00    -0.09  -0.16   0.00
    31   1    -0.03   0.01   0.01    -0.00   0.00   0.00    -0.11  -0.25   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.0324              1103.9385              1151.3295
 Red. masses --      1.7766                 2.5878                 1.4719
 Frc consts  --      1.2414                 1.8581                 1.1496
 IR Inten    --     15.3404                10.1019                13.3744
 RamAct Fr= 1--      5.4720                11.1748                 3.0283
  Dep-P Fr= 1--      0.1806                 0.3260                 0.5358
  Dep-U Fr= 1--      0.3059                 0.4917                 0.6977
 Alpha2 Fr= 1--      0.0782                 0.1059                 0.0125
 Beta2  Fr= 1--      0.2790                 0.9158                 0.3522
 AlphaG Fr= 1--     -0.0976                 0.0699                 0.0080
 Gamma2 Fr= 1--      0.9749                -0.4456                 0.7223
 Delta2 Fr= 1--      0.0377                 1.1850                 1.8866
 Raman1 Fr= 1--      21.888                 44.699                 12.113
 ROA1   Fr= 1--      94.797                 -4.861                129.707
 CID1   Fr= 1--       4.331                 -0.109                 10.708
 Raman2 Fr= 1--       3.348                 10.989                  4.226
 ROA2   Fr= 1--      23.096                -20.176                  2.242
 CID2   Fr= 1--       6.898                 -1.836                  0.530
 Raman3 Fr= 1--       6.696                 21.978                  8.452
 ROA3   Fr= 1--      94.797                 -4.861                129.707
 CID3   Fr= 1--      14.157                 -0.221                 15.347
 RC180  Fr= 1--      -0.388                 -0.017                  0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.03   0.02  -0.00     0.00   0.08   0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.01   0.05  -0.00
     3   6     0.01   0.00   0.01     0.03  -0.05   0.00    -0.03  -0.06   0.00
     4   6     0.06   0.05  -0.05    -0.04  -0.01  -0.02    -0.02  -0.01  -0.00
     5   6     0.01  -0.05   0.01    -0.02   0.03   0.01     0.01   0.04   0.00
     6   6    -0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.01  -0.06   0.00
     7   6     0.01   0.01  -0.00    -0.00  -0.02  -0.00    -0.05  -0.06   0.00
     8   1    -0.12   0.04  -0.05     0.24  -0.12  -0.06     0.10  -0.11  -0.02
     9   1    -0.04  -0.10  -0.03     0.04   0.09  -0.00     0.21   0.22  -0.01
    10   1    -0.12   0.01   0.00     0.08  -0.03  -0.01    -0.07  -0.04   0.00
    11   6     0.03  -0.01   0.13    -0.11   0.20   0.15     0.04  -0.01  -0.00
    12   6    -0.10  -0.02  -0.11     0.06  -0.15  -0.06    -0.02   0.01  -0.00
    13   6     0.00   0.06   0.07    -0.04  -0.08   0.11     0.00   0.01  -0.02
    14   1     0.27  -0.04   0.32    -0.09   0.20  -0.17     0.15  -0.02   0.04
    15   1    -0.09   0.07   0.49    -0.03   0.21  -0.14    -0.02   0.01   0.09
    16   1     0.37  -0.13  -0.45    -0.04   0.25   0.19     0.05  -0.01  -0.05
    17   1     0.29  -0.06   0.04     0.20  -0.12  -0.62     0.04  -0.00   0.03
    18   8    -0.04   0.01  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    19   8     0.03  -0.01  -0.05     0.04   0.00  -0.07    -0.01   0.00   0.01
    20   1     0.03  -0.01  -0.06     0.07  -0.01  -0.27    -0.01   0.00   0.07
    21   6    -0.00  -0.00   0.00    -0.02   0.01   0.00     0.04   0.03  -0.00
    22   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.04  -0.00   0.00
    23   6     0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.07  -0.00
    24   8    -0.00  -0.00   0.00     0.01   0.02  -0.00     0.04   0.04  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.02  -0.00     0.00  -0.04  -0.00
    26   1     0.04   0.00  -0.00    -0.05  -0.00   0.00    -0.41   0.05   0.04
    27   1    -0.05  -0.05   0.00     0.01   0.03   0.00     0.55   0.52  -0.03
    28   1     0.04  -0.00  -0.00    -0.01  -0.02   0.00     0.12  -0.11  -0.01
    29   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
    30   1    -0.00  -0.01   0.00    -0.00   0.00   0.00     0.02   0.09   0.00
    31   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.04   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.0385              1175.9684              1183.7967
 Red. masses --      1.2768                 2.2389                 1.3156
 Frc consts  --      1.0369                 1.8242                 1.0862
 IR Inten    --      0.8435                36.6029                 6.7018
 RamAct Fr= 1--      0.8933                43.8184                 2.7900
  Dep-P Fr= 1--      0.7499                 0.4776                 0.5368
  Dep-U Fr= 1--      0.8571                 0.6464                 0.6986
 Alpha2 Fr= 1--      0.0000                 0.2394                 0.0115
 Beta2  Fr= 1--      0.1276                 4.7210                 0.3249
 AlphaG Fr= 1--      0.0013                -0.0643                 0.0044
 Gamma2 Fr= 1--     -0.0057               -10.0924                 0.0440
 Delta2 Fr= 1--     -0.0020                -1.8471                 0.2601
 Raman1 Fr= 1--       3.573                175.273                 11.160
 ROA1   Fr= 1--      -0.613              -1027.979                 12.546
 CID1   Fr= 1--      -0.171                 -5.865                  1.124
 Raman2 Fr= 1--       1.531                 56.652                  3.898
 ROA2   Fr= 1--      -0.122               -227.442                 -1.025
 CID2   Fr= 1--      -0.079                 -4.015                 -0.263
 Raman3 Fr= 1--       3.063                113.303                  7.797
 ROA3   Fr= 1--      -0.613              -1027.979                 12.546
 CID3   Fr= 1--      -0.200                 -9.073                  1.609
 RC180  Fr= 1--       0.714                  0.293                  0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.02  -0.00
     2   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.01   0.07   0.00
     3   6     0.00  -0.00  -0.00    -0.02   0.02  -0.01     0.01  -0.05  -0.00
     4   6    -0.00   0.00   0.00     0.07   0.00   0.02     0.01   0.02   0.01
     5   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.06   0.03  -0.01
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.06  -0.05   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.01   0.00     0.02   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.24   0.10   0.06    -0.06  -0.03   0.01
     9   1     0.00   0.00  -0.00    -0.11  -0.11   0.03     0.53   0.44  -0.03
    10   1     0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.53   0.09   0.05
    11   6    -0.00   0.00   0.00    -0.00  -0.05  -0.10    -0.01  -0.02  -0.02
    12   6     0.00  -0.00  -0.00     0.00   0.07   0.02     0.01   0.02   0.01
    13   6     0.00   0.00  -0.00    -0.04  -0.04   0.25    -0.00  -0.00   0.03
    14   1     0.00  -0.00   0.00    -0.23  -0.02  -0.31    -0.06  -0.01  -0.03
    15   1    -0.00   0.00  -0.00     0.04  -0.10  -0.06     0.02  -0.04  -0.04
    16   1    -0.00   0.00   0.00    -0.05  -0.09  -0.04    -0.03  -0.03   0.00
    17   1     0.00  -0.00  -0.00    -0.14   0.06   0.21    -0.04   0.02   0.04
    18   8     0.00  -0.00   0.00    -0.06   0.03  -0.02    -0.00   0.00  -0.00
    19   8    -0.00   0.00   0.00     0.08  -0.02  -0.07     0.01  -0.00  -0.01
    20   1    -0.00  -0.00   0.00     0.16  -0.02  -0.65     0.02  -0.00  -0.07
    21   6     0.00  -0.00   0.00     0.02   0.00  -0.00    -0.03   0.01   0.00
    22   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.02   0.00
    23   6     0.00   0.00   0.00     0.01  -0.01  -0.00    -0.04   0.00   0.00
    24   8    -0.01   0.00  -0.06     0.00   0.00  -0.00     0.02   0.02  -0.00
    25   6     0.01  -0.00   0.14    -0.00  -0.00   0.00     0.00  -0.03  -0.00
    26   1     0.00  -0.00  -0.00    -0.21   0.07   0.02     0.25  -0.07  -0.02
    27   1    -0.00  -0.00  -0.01     0.18   0.15  -0.01    -0.25  -0.19   0.02
    28   1    -0.00   0.00  -0.02     0.02  -0.01  -0.00     0.06  -0.03  -0.01
    29   1     0.17   0.62  -0.18     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    30   1    -0.02   0.01  -0.28     0.00   0.01  -0.00     0.01   0.06   0.00
    31   1    -0.20  -0.62  -0.17     0.00   0.00   0.00    -0.02  -0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1192.3048              1205.0676              1224.6997
 Red. masses --      1.4867                 1.5172                 1.7611
 Frc consts  --      1.2452                 1.2982                 1.5563
 IR Inten    --     16.3939                37.9711                63.2354
 RamAct Fr= 1--      3.5411                66.1643                23.8572
  Dep-P Fr= 1--      0.6006                 0.1866                 0.2181
  Dep-U Fr= 1--      0.7505                 0.3145                 0.3581
 Alpha2 Fr= 1--      0.0098                 0.9309                 0.3087
 Beta2  Fr= 1--      0.4429                 3.4676                 1.4238
 AlphaG Fr= 1--     -0.0034                -0.0920                -0.0308
 Gamma2 Fr= 1--      4.1794                 1.1127                -0.3280
 Delta2 Fr= 1--     -1.0576                 1.7754                -0.0401
 Raman1 Fr= 1--      14.164                264.657                 95.429
 ROA1   Fr= 1--     367.383                163.636                -32.775
 CID1   Fr= 1--      25.937                  0.618                 -0.343
 Raman2 Fr= 1--       5.315                 41.611                 17.086
 ROA2   Fr= 1--     108.767                 12.503                 -7.552
 CID2   Fr= 1--      20.464                  0.300                 -0.442
 Raman3 Fr= 1--      10.630                 83.222                 34.171
 ROA3   Fr= 1--     367.383                163.636                -32.775
 CID3   Fr= 1--      34.561                  1.966                 -0.959
 RC180  Fr= 1--       0.501                 -0.371                 -0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.01    -0.03   0.04   0.00     0.03  -0.00  -0.00
     2   6    -0.08   0.05   0.01     0.02  -0.02  -0.00     0.12  -0.06  -0.01
     3   6     0.02  -0.01  -0.00    -0.01  -0.02  -0.00    -0.03  -0.00   0.00
     4   6    -0.06   0.01   0.01    -0.10  -0.03   0.01    -0.05  -0.04   0.00
     5   6    -0.03  -0.02   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
     6   6     0.05  -0.03  -0.00     0.00   0.03   0.00    -0.00   0.06   0.00
     7   6     0.04  -0.03  -0.00     0.00  -0.04  -0.00    -0.01   0.01   0.00
     8   1     0.41  -0.13  -0.03     0.49  -0.18  -0.04     0.11  -0.05  -0.01
     9   1    -0.01  -0.00   0.01     0.12   0.15  -0.00    -0.07  -0.00   0.01
    10   1     0.38  -0.14  -0.04    -0.06   0.05   0.01    -0.23   0.13   0.02
    11   6     0.03  -0.01  -0.03     0.07  -0.00  -0.03     0.04   0.01  -0.00
    12   6    -0.01   0.03   0.01    -0.02   0.03   0.01    -0.02   0.01  -0.00
    13   6    -0.00   0.01   0.04    -0.01   0.00   0.05    -0.00  -0.00   0.02
    14   1     0.20  -0.03  -0.04     0.31  -0.02  -0.08     0.13   0.00  -0.05
    15   1     0.01  -0.03   0.01    -0.01  -0.02   0.05    -0.01   0.01   0.04
    16   1     0.01  -0.03  -0.03     0.04  -0.03  -0.06     0.04   0.00  -0.03
    17   1    -0.02   0.02   0.08     0.02   0.02   0.09     0.03   0.00   0.02
    18   8    -0.02   0.01  -0.00    -0.02   0.01  -0.01    -0.01   0.00  -0.00
    19   8     0.01  -0.01  -0.01     0.02  -0.01  -0.01     0.01  -0.00  -0.01
    20   1     0.03  -0.01  -0.12     0.03  -0.01  -0.12     0.01  -0.00  -0.02
    21   6    -0.03  -0.02   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    22   6    -0.05   0.02   0.00     0.08   0.02  -0.01     0.02   0.00  -0.00
    23   6     0.02  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.01   0.03   0.00    -0.01  -0.05  -0.00    -0.11   0.01   0.01
    25   6     0.04  -0.04  -0.00    -0.06   0.06   0.01     0.13  -0.01  -0.01
    26   1     0.42  -0.15  -0.04     0.10  -0.08  -0.01    -0.01   0.01   0.00
    27   1    -0.10  -0.09   0.01    -0.02  -0.05   0.00    -0.05  -0.05   0.00
    28   1     0.39  -0.12  -0.04    -0.40   0.13   0.04    -0.41   0.09   0.04
    29   1    -0.14  -0.08  -0.02     0.19   0.11   0.04    -0.35  -0.17  -0.05
    30   1     0.07   0.29   0.00    -0.11  -0.43  -0.00     0.18   0.55  -0.00
    31   1    -0.13  -0.08   0.04     0.19   0.11  -0.07    -0.34  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1268.2530              1283.2225              1299.5873
 Red. masses --      3.6075                 1.5270                 1.6895
 Frc consts  --      3.4187                 1.4815                 1.6812
 IR Inten    --     92.4369                32.8616                56.7176
 RamAct Fr= 1--     11.6979                 6.7925                 5.4543
  Dep-P Fr= 1--      0.2653                 0.6365                 0.7276
  Dep-U Fr= 1--      0.4193                 0.7779                 0.8423
 Alpha2 Fr= 1--      0.1328                 0.0140                 0.0021
 Beta2  Fr= 1--      0.8175                 0.8806                 0.7657
 AlphaG Fr= 1--      0.0318                 0.0183                 0.0049
 Gamma2 Fr= 1--      0.1059                -4.2712                11.5780
 Delta2 Fr= 1--     -0.2477                -0.4719                -0.3394
 Raman1 Fr= 1--      46.791                 27.170                 21.817
 ROA1   Fr= 1--       2.242               -425.136               1100.632
 CID1   Fr= 1--       0.048                -15.647                 50.448
 Raman2 Fr= 1--       9.811                 10.567                  9.188
 ROA2   Fr= 1--       4.524                -98.734                280.588
 CID2   Fr= 1--       0.461                 -9.343                 30.537
 Raman3 Fr= 1--      19.621                 21.135                 18.377
 ROA3   Fr= 1--       2.242               -425.136               1100.632
 CID3   Fr= 1--       0.114                -20.115                 59.893
 RC180  Fr= 1--      -0.161                  0.556                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24  -0.08  -0.02     0.03  -0.06  -0.00    -0.00   0.10   0.00
     2   6     0.09  -0.02  -0.01    -0.02  -0.03   0.00     0.10   0.08  -0.01
     3   6    -0.07   0.01   0.01     0.03  -0.04  -0.01    -0.04  -0.03   0.00
     4   6    -0.19  -0.14   0.01    -0.00   0.07   0.01     0.06   0.02  -0.00
     5   6    -0.02   0.01   0.00     0.01  -0.02  -0.00    -0.02   0.02   0.00
     6   6     0.00   0.07   0.00    -0.00   0.01  -0.00     0.02  -0.06  -0.00
     7   6     0.01   0.07   0.00     0.01   0.02   0.00    -0.01  -0.02   0.00
     8   1    -0.30   0.07   0.02     0.13  -0.08   0.00    -0.17   0.01   0.02
     9   1    -0.03   0.01   0.01    -0.06  -0.07  -0.00    -0.20  -0.14   0.01
    10   1     0.44  -0.06  -0.04    -0.16   0.06   0.02     0.08  -0.08  -0.01
    11   6     0.10   0.03  -0.00    -0.14  -0.01  -0.05    -0.03   0.00  -0.04
    12   6    -0.03   0.01   0.00     0.05  -0.00   0.02     0.01  -0.03   0.01
    13   6    -0.01   0.00   0.00     0.03   0.05  -0.03     0.01   0.02  -0.04
    14   1     0.45   0.00  -0.09     0.65  -0.09   0.36    -0.02  -0.01   0.35
    15   1    -0.02   0.00   0.07     0.03   0.01  -0.13    -0.02   0.07   0.00
    16   1     0.09   0.01  -0.07    -0.10  -0.02   0.09    -0.03   0.05   0.08
    17   1     0.08   0.00   0.04    -0.13   0.01  -0.03    -0.02  -0.02  -0.06
    18   8    -0.02   0.01  -0.00    -0.02  -0.00   0.01    -0.02   0.00   0.01
    19   8     0.01  -0.00   0.01     0.01  -0.01   0.04     0.01  -0.01   0.04
    20   1     0.04   0.00  -0.17     0.07  -0.00  -0.40     0.06   0.01  -0.35
    21   6    -0.03   0.06   0.00    -0.00   0.01   0.00    -0.02  -0.01   0.00
    22   6    -0.15  -0.11   0.01     0.00   0.02  -0.00    -0.04  -0.07   0.00
    23   6    -0.11   0.04   0.01     0.01  -0.00  -0.00    -0.05  -0.02   0.00
    24   8     0.12   0.05  -0.01    -0.01  -0.01   0.00     0.04   0.02  -0.00
    25   6    -0.04  -0.05   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
    26   1    -0.06   0.11   0.01    -0.30   0.12   0.03     0.52  -0.19  -0.05
    27   1    -0.27  -0.14   0.02    -0.03  -0.02   0.00     0.09   0.10  -0.01
    28   1     0.22  -0.06  -0.02     0.11  -0.03  -0.01    -0.48   0.11   0.04
    29   1     0.13   0.07  -0.01    -0.01  -0.00  -0.00     0.03   0.02  -0.01
    30   1    -0.03   0.01   0.00     0.00   0.01  -0.00    -0.01  -0.02   0.00
    31   1     0.13   0.07  -0.01    -0.01  -0.00   0.00     0.03   0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1300.7338              1310.2521              1340.6064
 Red. masses --      2.1450                 1.6817                 1.7868
 Frc consts  --      2.1382                 1.7011                 1.8921
 IR Inten    --    108.0492               120.2947               119.6299
 RamAct Fr= 1--      1.9112                 4.6313                 5.4982
  Dep-P Fr= 1--      0.6173                 0.7198                 0.7097
  Dep-U Fr= 1--      0.7634                 0.8371                 0.8302
 Alpha2 Fr= 1--      0.0046                 0.0024                 0.0038
 Beta2  Fr= 1--      0.2432                 0.6461                 0.7608
 AlphaG Fr= 1--      0.0002                -0.0149                -0.0004
 Gamma2 Fr= 1--      3.4027                -7.3405                -1.1346
 Delta2 Fr= 1--     -0.5127                -0.4547                 1.2419
 Raman1 Fr= 1--       7.645                 18.525                 21.993
 ROA1   Fr= 1--     310.258               -719.238                -69.185
 CID1   Fr= 1--      40.584                -38.825                 -3.146
 Raman2 Fr= 1--       2.918                  7.753                  9.129
 ROA2   Fr= 1--      85.767               -172.534                -37.166
 CID2   Fr= 1--      29.392                -22.253                 -4.071
 Raman3 Fr= 1--       5.836                 15.507                 18.258
 ROA3   Fr= 1--     310.258               -719.238                -69.185
 CID3   Fr= 1--      53.163                -46.382                 -3.789
 RC180  Fr= 1--       0.527                  0.674                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.08   0.01     0.05   0.03  -0.00     0.01  -0.01  -0.00
     2   6     0.07  -0.12  -0.01     0.04   0.06  -0.00     0.00  -0.01   0.00
     3   6     0.01   0.05   0.00    -0.01  -0.06  -0.00    -0.01   0.02  -0.00
     4   6     0.03   0.02  -0.00     0.02   0.07   0.00    -0.01  -0.03   0.02
     5   6     0.02   0.03  -0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.03   0.00     0.02  -0.04  -0.00    -0.01   0.01   0.00
     7   6    -0.04   0.09   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1     0.56  -0.12  -0.05    -0.11  -0.04   0.01     0.02   0.01   0.04
     9   1    -0.20  -0.16   0.01    -0.16  -0.15   0.01     0.03   0.03   0.01
    10   1    -0.47   0.18   0.05     0.06  -0.05  -0.00     0.04  -0.00  -0.00
    11   6    -0.02  -0.01   0.02    -0.11  -0.02   0.03     0.02   0.03  -0.17
    12   6     0.01   0.01  -0.01     0.04   0.05  -0.01    -0.02  -0.06   0.05
    13   6    -0.00  -0.01   0.01    -0.00   0.01   0.09     0.00   0.02   0.15
    14   1    -0.06   0.00  -0.11     0.44  -0.06  -0.39    -0.07   0.02   0.77
    15   1     0.01  -0.01  -0.00     0.07  -0.10  -0.11    -0.07   0.15  -0.04
    16   1    -0.01  -0.02  -0.01    -0.07  -0.12  -0.04     0.03   0.11   0.09
    17   1    -0.02   0.01   0.02    -0.14   0.05   0.11     0.03  -0.04  -0.18
    18   8     0.01  -0.00  -0.00     0.04  -0.02  -0.02     0.02  -0.01  -0.03
    19   8    -0.01   0.00  -0.02    -0.02   0.01  -0.08    -0.01   0.00  -0.08
    20   1    -0.03   0.00   0.14    -0.12  -0.01   0.62    -0.08   0.01   0.48
    21   6     0.01  -0.02  -0.00    -0.02   0.01   0.00     0.00   0.00  -0.00
    22   6    -0.14  -0.10   0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.07   0.00    -0.03  -0.03   0.00    -0.00   0.01   0.00
    24   8     0.09   0.04  -0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    25   6    -0.03  -0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.25   0.00  -0.02     0.06  -0.03  -0.00    -0.01   0.00   0.00
    27   1     0.24   0.20  -0.02    -0.04  -0.01   0.00    -0.01  -0.01   0.00
    28   1     0.07   0.04  -0.01    -0.20   0.02   0.02     0.05  -0.01  -0.00
    29   1     0.10   0.06  -0.02     0.01   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.06   0.00    -0.00  -0.02   0.00    -0.00   0.01   0.00
    31   1     0.10   0.06   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1382.2804              1409.2473              1417.2823
 Red. masses --      1.8367                 4.9484                 1.3618
 Frc consts  --      2.0677                 5.7901                 1.6117
 IR Inten    --      7.9560                 3.9000                11.6619
 RamAct Fr= 1--     16.3329               703.0567                51.1000
  Dep-P Fr= 1--      0.2684                 0.2251                 0.1738
  Dep-U Fr= 1--      0.4232                 0.3675                 0.2961
 Alpha2 Fr= 1--      0.1837                 8.9253                 0.7433
 Beta2  Fr= 1--      1.1521                43.0597                 2.5218
 AlphaG Fr= 1--      0.1379                -2.4113                -0.1139
 Gamma2 Fr= 1--      1.9012               -10.1786                -0.3099
 Delta2 Fr= 1--     -0.3929                 1.0458                 0.3597
 Raman1 Fr= 1--      65.331               2812.227                204.400
 ROA1   Fr= 1--     169.942               -943.685                -18.237
 CID1   Fr= 1--       2.601                 -0.336                 -0.089
 Raman2 Fr= 1--      13.825                516.716                 30.262
 ROA2   Fr= 1--      48.772               -252.654                -10.314
 CID2   Fr= 1--       3.528                 -0.489                 -0.341
 Raman3 Fr= 1--      27.651               1033.432                 60.524
 ROA3   Fr= 1--     169.942               -943.685                -18.237
 CID3   Fr= 1--       6.146                 -0.913                 -0.301
 RC180  Fr= 1--      -0.154                 -0.265                 -0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.00     0.09   0.28  -0.00    -0.00  -0.05  -0.00
     2   6     0.07   0.00  -0.01    -0.08  -0.28   0.00     0.01   0.05   0.00
     3   6    -0.09  -0.04   0.01    -0.16   0.06   0.02    -0.01   0.01   0.00
     4   6    -0.01   0.08   0.00     0.12  -0.18  -0.01    -0.00   0.01  -0.00
     5   6     0.01   0.04   0.00     0.17   0.10  -0.01     0.01  -0.01  -0.00
     6   6     0.06  -0.05  -0.01    -0.19   0.04   0.02    -0.01  -0.01   0.00
     7   6     0.06  -0.07  -0.01     0.03  -0.06  -0.00    -0.04   0.00   0.00
     8   1     0.24  -0.15  -0.02    -0.12   0.06   0.01     0.13  -0.03  -0.01
     9   1    -0.36  -0.30   0.02    -0.01  -0.08  -0.01     0.02   0.00  -0.01
    10   1    -0.33   0.07   0.03    -0.04  -0.02   0.01     0.11  -0.05  -0.01
    11   6     0.05  -0.02  -0.01    -0.08   0.01   0.01     0.00   0.00  -0.00
    12   6    -0.00  -0.01  -0.01     0.04  -0.01  -0.05     0.05  -0.04  -0.11
    13   6    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.01   0.00   0.01
    14   1    -0.31   0.02   0.04     0.40  -0.03  -0.04    -0.03   0.01   0.03
    15   1    -0.01   0.04   0.07     0.01   0.12   0.21     0.00   0.20   0.54
    16   1    -0.01   0.06   0.04    -0.20   0.04   0.12    -0.40   0.26   0.33
    17   1     0.01  -0.02   0.06    -0.19  -0.00   0.16    -0.23  -0.05   0.45
    18   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    19   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    20   1     0.01   0.00  -0.02    -0.00   0.01   0.01    -0.00  -0.00   0.02
    21   6     0.02   0.03  -0.00    -0.05  -0.05   0.00     0.03   0.03  -0.00
    22   6    -0.05   0.12   0.01    -0.00   0.07   0.00     0.04  -0.05  -0.00
    23   6    -0.07  -0.06   0.00     0.07   0.02  -0.01    -0.03   0.02   0.00
    24   8     0.02  -0.02  -0.00    -0.01  -0.01   0.00    -0.01   0.00   0.00
    25   6    -0.02  -0.00   0.00    -0.01   0.00   0.00     0.01   0.01  -0.00
    26   1    -0.27   0.03   0.02     0.35  -0.16  -0.03    -0.03  -0.00   0.00
    27   1    -0.33  -0.31   0.02     0.01   0.01  -0.00    -0.01  -0.01   0.00
    28   1     0.25  -0.17  -0.03     0.34  -0.06  -0.03     0.01   0.01  -0.00
    29   1     0.08   0.03   0.01     0.03   0.01   0.00    -0.04  -0.03   0.01
    30   1    -0.02   0.01   0.00    -0.00   0.03   0.00     0.01  -0.03  -0.00
    31   1     0.07   0.03  -0.03     0.02   0.01  -0.01    -0.04  -0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1425.7671              1457.1558              1476.5356
 Red. masses --      2.9438                 3.4638                 1.2342
 Frc consts  --      3.5258                 4.3332                 1.5854
 IR Inten    --     72.5546                12.1027                 6.9391
 RamAct Fr= 1--     54.0311               138.3848                17.0763
  Dep-P Fr= 1--      0.1952                 0.2650                 0.5437
  Dep-U Fr= 1--      0.3267                 0.4189                 0.7044
 Alpha2 Fr= 1--      0.7431                 1.5722                 0.0676
 Beta2  Fr= 1--      2.9418                 9.6624                 2.0049
 AlphaG Fr= 1--      0.0325                 0.4534                -0.0293
 Gamma2 Fr= 1--     -0.4677                -1.3065                -2.3043
 Delta2 Fr= 1--     -3.9426                 1.0023                -0.5916
 Raman1 Fr= 1--     216.124                553.539                 68.305
 ROA1   Fr= 1--    -171.066                -93.354               -240.147
 CID1   Fr= 1--      -0.792                 -0.169                 -3.516
 Raman2 Fr= 1--      35.302                115.949                 24.059
 ROA2   Fr= 1--      20.316                -39.375                -50.571
 CID2   Fr= 1--       0.575                 -0.340                 -2.102
 Raman3 Fr= 1--      70.603                231.897                 48.118
 ROA3   Fr= 1--    -171.066                -93.354               -240.147
 CID3   Fr= 1--      -2.423                 -0.403                 -4.991
 RC180  Fr= 1--      -0.347                 -0.162                  0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.17   0.00  -0.01    -0.02  -0.00   0.00
     2   6     0.03   0.08  -0.00    -0.17  -0.01   0.01     0.00   0.02   0.00
     3   6    -0.11   0.06   0.01    -0.10  -0.06   0.01    -0.02   0.01   0.00
     4   6     0.08  -0.02  -0.01    -0.06   0.18   0.01     0.03   0.01  -0.00
     5   6     0.12   0.05  -0.01     0.11  -0.04  -0.01     0.01  -0.02  -0.00
     6   6    -0.12  -0.06   0.01    -0.08  -0.01   0.01    -0.04   0.01   0.00
     7   6    -0.13  -0.03   0.01     0.12   0.03  -0.01     0.01  -0.03  -0.00
     8   1     0.44  -0.11  -0.04     0.34  -0.21  -0.03     0.09  -0.02  -0.01
     9   1    -0.14  -0.21   0.01    -0.09  -0.24   0.00     0.08   0.04  -0.01
    10   1     0.24  -0.18  -0.02     0.12  -0.09  -0.01     0.14  -0.05  -0.01
    11   6    -0.03  -0.01   0.01     0.06  -0.04  -0.01    -0.01  -0.00   0.00
    12   6    -0.02   0.02   0.06    -0.01   0.00   0.01     0.00   0.00   0.00
    13   6     0.01  -0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.01  -0.01  -0.02    -0.39   0.01   0.03    -0.02  -0.00   0.00
    15   1    -0.01  -0.07  -0.29     0.00  -0.06  -0.02     0.01  -0.01   0.03
    16   1     0.21  -0.16  -0.18     0.03   0.05   0.01    -0.03  -0.06  -0.01
    17   1     0.07   0.03  -0.26     0.09  -0.01   0.02    -0.02   0.01  -0.05
    18   8    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8    -0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.01   0.01  -0.04     0.01   0.01  -0.01    -0.00   0.00   0.00
    21   6     0.13   0.09  -0.01    -0.15   0.02   0.01     0.04   0.04  -0.00
    22   6     0.13  -0.11  -0.01     0.01  -0.15  -0.00     0.01  -0.02  -0.00
    23   6    -0.13   0.08   0.01     0.13   0.03  -0.01     0.03  -0.01  -0.00
    24   8    -0.05  -0.01   0.00    -0.00   0.04   0.00    -0.03  -0.02   0.00
    25   6     0.03   0.03  -0.00     0.03  -0.00  -0.00    -0.04  -0.09   0.00
    26   1     0.03  -0.10  -0.01    -0.14   0.13   0.01    -0.12   0.01   0.01
    27   1    -0.09  -0.13   0.00     0.07   0.25   0.00    -0.10  -0.09   0.01
    28   1     0.28  -0.03  -0.02    -0.38   0.20   0.04    -0.15   0.05   0.01
    29   1    -0.13  -0.13   0.04    -0.14   0.03  -0.06     0.28   0.40  -0.18
    30   1     0.01  -0.12  -0.00     0.02  -0.12  -0.00     0.03   0.57   0.01
    31   1    -0.14  -0.13  -0.02    -0.13   0.02   0.09     0.31   0.39   0.14
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1591              1493.3446              1497.8078
 Red. masses --      1.0516                 1.0460                 1.0545
 Frc consts  --      1.3795                 1.3744                 1.3938
 IR Inten    --      8.6376                 8.7664                 7.7006
 RamAct Fr= 1--      5.4138                 9.7329                 6.5338
  Dep-P Fr= 1--      0.7465                 0.7500                 0.6324
  Dep-U Fr= 1--      0.8548                 0.8571                 0.7748
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0139
 Beta2  Fr= 1--      0.7713                 1.3904                 0.8437
 AlphaG Fr= 1--      0.0007                 0.0005                 0.0914
 Gamma2 Fr= 1--      3.2224                 0.0046                 2.7105
 Delta2 Fr= 1--     -0.0727                 0.0374                 2.4155
 Raman1 Fr= 1--      21.655                 38.932                 26.135
 ROA1   Fr= 1--     307.027                  1.637                337.507
 CID1   Fr= 1--      14.178                  0.042                 12.914
 Raman2 Fr= 1--       9.256                 16.685                 10.125
 ROA2   Fr= 1--      77.920                 -0.189                 45.729
 CID2   Fr= 1--       8.419                 -0.011                  4.517
 Raman3 Fr= 1--      18.511                 33.370                 20.250
 ROA3   Fr= 1--     307.027                  1.637                337.507
 CID3   Fr= 1--      16.586                  0.049                 16.667
 RC180  Fr= 1--       0.710                  0.714                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
     5   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
     8   1    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
     9   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    10   1    -0.03   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.03   0.01  -0.02
    12   6    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00    -0.04   0.02  -0.02
    13   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1     0.04  -0.02  -0.06     0.00  -0.00  -0.00     0.04   0.00   0.04
    15   1    -0.10   0.26  -0.43    -0.00   0.00  -0.00     0.13  -0.61  -0.02
    16   1     0.46   0.52  -0.00     0.00   0.00  -0.00    -0.17   0.28   0.22
    17   1     0.02  -0.06   0.49    -0.00  -0.00   0.00     0.65  -0.05   0.14
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00   0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    22   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    24   8    -0.01  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.01   0.00  -0.06    -0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.02  -0.01  -0.00
    27   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   1     0.00   0.00   0.00    -0.00   0.00  -0.03     0.02  -0.01  -0.00
    29   1     0.02   0.05  -0.02     0.48   0.11   0.03     0.02   0.00   0.00
    30   1     0.00   0.06  -0.00     0.06  -0.01   0.72     0.00   0.03   0.00
    31   1     0.03   0.05   0.02    -0.46  -0.11   0.11     0.02   0.00  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.2828              1525.5170              1546.3047
 Red. masses --      1.0645                 2.3856                 3.4774
 Frc consts  --      1.4230                 3.2710                 4.8989
 IR Inten    --     35.7912                47.3994                33.5843
 RamAct Fr= 1--      1.6131               151.3972                 1.3696
  Dep-P Fr= 1--      0.7460                 0.2472                 0.6771
  Dep-U Fr= 1--      0.8545                 0.3964                 0.8075
 Alpha2 Fr= 1--      0.0001                 1.8085                 0.0018
 Beta2  Fr= 1--      0.2297                10.0018                 0.1843
 AlphaG Fr= 1--     -0.0014                -0.1920                 0.0206
 Gamma2 Fr= 1--     -0.4217                -2.8112                -0.8097
 Delta2 Fr= 1--     -0.1893                 1.5744                 0.1491
 Raman1 Fr= 1--       6.452                605.589                  5.479
 ROA1   Fr= 1--     -46.537               -219.490                -72.964
 CID1   Fr= 1--      -7.212                 -0.362                -13.318
 Raman2 Fr= 1--       2.757                120.022                  2.212
 ROA2   Fr= 1--      -8.605                -80.064                -20.626
 CID2   Fr= 1--      -3.122                 -0.667                 -9.325
 Raman3 Fr= 1--       5.513                240.044                  4.424
 ROA3   Fr= 1--     -46.537               -219.490                -72.964
 CID3   Fr= 1--      -8.441                 -0.914                -16.494
 RC180  Fr= 1--       0.709                 -0.207                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00     0.09  -0.02  -0.01     0.13  -0.04  -0.01
     2   6     0.00  -0.00  -0.00    -0.10   0.03   0.01     0.14  -0.06  -0.01
     3   6     0.01   0.01  -0.00     0.06  -0.04  -0.01    -0.06  -0.05   0.00
     4   6     0.00  -0.02  -0.00    -0.12  -0.01   0.01     0.03   0.18   0.00
     5   6    -0.00   0.01   0.00     0.06   0.09  -0.00    -0.05  -0.15   0.00
     6   6     0.02  -0.01  -0.00     0.10  -0.07  -0.01    -0.12   0.11   0.01
     7   6     0.00  -0.01  -0.00    -0.11   0.06   0.01    -0.12   0.10   0.01
     8   1    -0.03   0.02   0.00    -0.20   0.03   0.02     0.18  -0.13  -0.02
     9   1    -0.02  -0.00   0.00    -0.34  -0.26   0.02     0.33   0.18  -0.03
    10   1    -0.04   0.01   0.00    -0.36   0.06   0.03     0.40  -0.05  -0.03
    11   6    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.01  -0.03   0.00
    12   6    -0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    14   1     0.03   0.00   0.00     0.00   0.01   0.01    -0.19  -0.00   0.00
    15   1     0.01  -0.02   0.01     0.01   0.01   0.09    -0.01   0.02  -0.04
    16   1    -0.01  -0.00   0.01    -0.06  -0.09  -0.01     0.04   0.03  -0.01
    17   1     0.02  -0.00  -0.01    -0.04   0.01  -0.08    -0.01  -0.00   0.04
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.00   0.01  -0.00
    21   6     0.01   0.01  -0.00    -0.04  -0.08   0.00    -0.03  -0.15  -0.00
    22   6    -0.01   0.00   0.00     0.15   0.02  -0.01     0.04   0.19   0.00
    23   6    -0.01   0.00   0.00    -0.06   0.04   0.01    -0.08  -0.05   0.01
    24   8     0.02  -0.01  -0.00    -0.05  -0.02   0.00    -0.00  -0.03  -0.00
    25   6     0.04  -0.03  -0.00    -0.02  -0.03   0.00    -0.01  -0.01   0.00
    26   1    -0.02  -0.00   0.00     0.35  -0.08  -0.03     0.40  -0.06  -0.03
    27   1    -0.03  -0.03   0.00     0.28   0.21  -0.02     0.27   0.12  -0.02
    28   1     0.04  -0.01  -0.00     0.22  -0.04  -0.02     0.24  -0.15  -0.02
    29   1    -0.39   0.40  -0.34     0.13   0.18  -0.08    -0.03   0.13  -0.08
    30   1    -0.01  -0.37  -0.01     0.01   0.26   0.01    -0.02  -0.04   0.00
    31   1    -0.32   0.39   0.42     0.14   0.18   0.07    -0.01   0.12   0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1617.0717              1653.5329              1672.9576
 Red. masses --      7.0756                 5.6241                 6.1891
 Frc consts  --     10.9012                 9.0601                10.2057
 IR Inten    --      3.6891               116.7881                58.2518
 RamAct Fr= 1--     44.6138                14.9771               277.8350
  Dep-P Fr= 1--      0.1708                 0.3363                 0.4116
  Dep-U Fr= 1--      0.2917                 0.5033                 0.5831
 Alpha2 Fr= 1--      0.6540                 0.1374                 1.9737
 Beta2  Fr= 1--      2.1692                 1.2563                27.0029
 AlphaG Fr= 1--     -0.6465                -0.1365                -0.8700
 Gamma2 Fr= 1--      0.9940                -0.5125                 0.4892
 Delta2 Fr= 1--      0.3860                 2.4271                -4.0146
 Raman1 Fr= 1--     178.455                 59.908               1111.340
 ROA1   Fr= 1--     107.775                 28.471                -81.498
 CID1   Fr= 1--       0.604                  0.475                 -0.073
 Raman2 Fr= 1--      26.031                 15.076                324.035
 ROA2   Fr= 1--      20.768                -31.716                 43.858
 CID2   Fr= 1--       0.798                 -2.104                  0.135
 Raman3 Fr= 1--      52.061                 30.152                648.070
 ROA3   Fr= 1--     107.775                 28.471                -81.498
 CID3   Fr= 1--       2.070                  0.944                 -0.126
 RC180  Fr= 1--      -0.417                  0.007                  0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.29  -0.00    -0.02  -0.01   0.00    -0.25   0.04   0.02
     2   6     0.04   0.29   0.00    -0.01  -0.01   0.00     0.24  -0.04  -0.02
     3   6    -0.12   0.16   0.01     0.21  -0.11  -0.02     0.22  -0.08  -0.02
     4   6     0.06  -0.22  -0.01    -0.20   0.10   0.02    -0.15   0.06   0.01
     5   6     0.16   0.16  -0.01     0.21   0.06  -0.02     0.18   0.06  -0.01
     6   6    -0.12  -0.10   0.01    -0.21  -0.00   0.02    -0.24   0.03   0.02
     7   6     0.11   0.11  -0.01    -0.23  -0.00   0.02     0.25  -0.03  -0.02
     8   1     0.32   0.03  -0.02    -0.31   0.04   0.03    -0.31   0.08   0.03
     9   1    -0.18  -0.16   0.01    -0.17  -0.31   0.01    -0.11  -0.23   0.00
    10   1     0.12  -0.19  -0.01     0.16  -0.13  -0.02     0.27  -0.14  -0.03
    11   6    -0.02   0.02   0.00     0.04  -0.01  -0.01     0.02  -0.01  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.01   0.00   0.01    -0.00   0.00   0.00
    14   1     0.15  -0.00  -0.00    -0.09   0.00   0.01    -0.05  -0.00   0.01
    15   1     0.00  -0.01   0.01     0.00   0.01   0.02     0.00   0.01   0.01
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    17   1     0.02  -0.00  -0.01    -0.01   0.00  -0.00    -0.01   0.00   0.00
    18   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01     0.01  -0.00  -0.02     0.01  -0.01  -0.03
    21   6    -0.17  -0.19   0.01     0.23   0.06  -0.02    -0.19  -0.05   0.01
    22   6    -0.08   0.27   0.01    -0.20   0.10   0.02     0.13  -0.06  -0.01
    23   6     0.12  -0.18  -0.01     0.20  -0.10  -0.02    -0.20   0.07   0.02
    24   8     0.03  -0.01  -0.00     0.03  -0.01  -0.00    -0.01   0.01   0.00
    25   6    -0.01  -0.00   0.00     0.00   0.02  -0.00    -0.00  -0.01   0.00
    26   1    -0.06   0.18   0.01     0.19  -0.15  -0.02    -0.29   0.15   0.03
    27   1     0.17   0.15  -0.01    -0.14  -0.32   0.00     0.07   0.21  -0.00
    28   1    -0.35  -0.05   0.03    -0.31   0.04   0.03     0.30  -0.08  -0.03
    29   1     0.01   0.01   0.00    -0.04  -0.06   0.03     0.02   0.05  -0.03
    30   1    -0.02  -0.06   0.00    -0.00  -0.10  -0.00    -0.00   0.05   0.00
    31   1     0.01   0.01  -0.00    -0.05  -0.06  -0.03     0.02   0.04   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0684              3011.2361              3015.4759
 Red. masses --     10.3678                 1.0345                 1.0817
 Frc consts  --     20.6376                 5.5267                 5.7951
 IR Inten    --    424.6515                47.0488                 9.3205
 RamAct Fr= 1--     39.5561               228.4833                71.6885
  Dep-P Fr= 1--      0.3018                 0.0658                 0.1496
  Dep-U Fr= 1--      0.4637                 0.1234                 0.2602
 Alpha2 Fr= 1--      0.4035                 4.3462                 1.1095
 Beta2  Fr= 1--      3.0567                 4.7004                 3.1088
 AlphaG Fr= 1--     -1.4531                 0.2829                 0.3194
 Gamma2 Fr= 1--     -7.8364                 0.8352                -0.6838
 Delta2 Fr= 1--     -0.4768                -0.6449                 0.0025
 Raman1 Fr= 1--     158.224                913.933                286.754
 ROA1   Fr= 1--    -767.548                 59.547                -65.569
 CID1   Fr= 1--      -4.851                  0.065                 -0.229
 Raman2 Fr= 1--      36.681                 56.405                 37.306
 ROA2   Fr= 1--    -184.259                 25.205                -16.432
 CID2   Fr= 1--      -5.023                  0.447                 -0.440
 Raman3 Fr= 1--      73.362                112.810                 74.612
 ROA3   Fr= 1--    -767.548                 59.547                -65.569
 CID3   Fr= 1--     -10.462                  0.528                 -0.879
 RC180  Fr= 1--      -0.073                 -0.753                 -0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
     9   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.04   0.02  -0.01    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    12   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
    13   6     0.68  -0.29   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   1    -0.03   0.00  -0.06     0.00   0.01   0.00     0.10   0.99   0.02
    15   1     0.03  -0.03   0.05     0.00   0.00   0.00    -0.02  -0.00  -0.00
    16   1    -0.08   0.04   0.08    -0.00   0.00  -0.00     0.02  -0.01   0.02
    17   1     0.02  -0.02   0.04    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    18   8    -0.43   0.18   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.04   0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.06  -0.01   0.45    -0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00    -0.15   0.31   0.58     0.00  -0.00  -0.01
    30   1    -0.00  -0.00   0.00     0.29  -0.03  -0.03    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.24   0.33  -0.53     0.00  -0.00   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.2206              3067.8399              3117.2994
 Red. masses --      1.0350                 1.1058                 1.1025
 Frc consts  --      5.6846                 6.1318                 6.3125
 IR Inten    --     16.5389                32.8522                15.5769
 RamAct Fr= 1--    194.0429                55.9384                35.6730
  Dep-P Fr= 1--      0.0288                 0.7500                 0.7437
  Dep-U Fr= 1--      0.0560                 0.8571                 0.8530
 Alpha2 Fr= 1--      4.0306                 0.0000                 0.0038
 Beta2  Fr= 1--      1.8096                 7.9909                 5.0717
 AlphaG Fr= 1--     -0.1893                 0.0506                 0.0066
 Gamma2 Fr= 1--      0.8262                 1.4821                -3.2098
 Delta2 Fr= 1--      3.9218                 1.2601                 1.3520
 Raman1 Fr= 1--     776.172                223.753                142.692
 ROA1   Fr= 1--     204.816                182.607               -264.876
 CID1   Fr= 1--       0.264                  0.816                 -1.856
 Raman2 Fr= 1--      21.715                 95.891                 60.861
 ROA2   Fr= 1--     -11.545                 25.491                -87.851
 CID2   Fr= 1--      -0.532                  0.266                 -1.443
 Raman3 Fr= 1--      43.429                191.782                121.722
 ROA3   Fr= 1--     204.816                182.607               -264.876
 CID3   Fr= 1--       4.716                  0.952                 -2.176
 RC180  Fr= 1--      -0.888                  0.714                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6     0.01  -0.02  -0.05     0.00  -0.00  -0.00     0.02  -0.08   0.04
    13   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.02  -0.00     0.00   0.00   0.00     0.01   0.08   0.00
    15   1    -0.46  -0.12   0.01    -0.00  -0.00   0.00     0.01  -0.02   0.01
    16   1     0.31  -0.27   0.50     0.00  -0.00   0.00    -0.32   0.26  -0.52
    17   1     0.05   0.59   0.03     0.00   0.00   0.00     0.06   0.73   0.06
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.00  -0.09    -0.00   0.00   0.00
    26   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00    -0.17   0.34   0.59     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.02     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.27  -0.36   0.54    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.0637              3140.1022              3153.6382
 Red. masses --      1.1020                 1.0993                 1.0896
 Frc consts  --      6.3692                 6.3865                 6.3847
 IR Inten    --     16.6919                23.1130                10.5902
 RamAct Fr= 1--    196.0045               179.2029                62.6845
  Dep-P Fr= 1--      0.4835                 0.4126                 0.2874
  Dep-U Fr= 1--      0.6518                 0.5842                 0.4465
 Alpha2 Fr= 1--      1.0434                 1.2681                 0.6674
 Beta2  Fr= 1--     21.2930                17.4483                 4.6645
 AlphaG Fr= 1--      0.1141                -0.1258                 0.0989
 Gamma2 Fr= 1--     -1.1151                -0.6689                 1.0264
 Delta2 Fr= 1--     -6.5962                -0.5262                -0.7520
 Raman1 Fr= 1--     784.018                716.812                250.738
 ROA1   Fr= 1--    -318.126                -81.055                 74.471
 CID1   Fr= 1--      -0.406                 -0.113                  0.297
 Raman2 Fr= 1--     255.516                209.380                 55.974
 ROA2   Fr= 1--      26.008                -11.844                 30.651
 CID2   Fr= 1--       0.102                 -0.057                  0.548
 Raman3 Fr= 1--     511.033                418.759                111.949
 ROA3   Fr= 1--    -318.126                -81.055                 74.471
 CID3   Fr= 1--      -0.623                 -0.194                  0.665
 RC180  Fr= 1--       0.304                  0.168                 -0.107
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.08   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.30   0.95  -0.01
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.04  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.08  -0.03  -0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.00   0.03   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    15   1     0.85   0.21  -0.03    -0.00  -0.00   0.00     0.01   0.00  -0.00
    16   1     0.16  -0.16   0.27    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.31   0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00   0.00   0.00    -0.09   0.02   0.01     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.00
    27   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    28   1     0.00   0.00  -0.00     0.01   0.03  -0.00    -0.00   0.00   0.00
    29   1     0.00  -0.00  -0.00     0.03  -0.08  -0.17    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.95  -0.10  -0.08    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.06  -0.09   0.16    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3166.0386              3172.5900              3183.4623
 Red. masses --      1.0864                 1.0883                 1.0946
 Frc consts  --      6.4164                 6.4537                 6.5358
 IR Inten    --      3.8297                 7.9899                 9.7452
 RamAct Fr= 1--     55.3238                86.4387               140.7469
  Dep-P Fr= 1--      0.7287                 0.5380                 0.1685
  Dep-U Fr= 1--      0.8431                 0.6996                 0.2884
 Alpha2 Fr= 1--      0.0202                 0.3531                 2.0755
 Beta2  Fr= 1--      7.7736                10.0787                 6.7643
 AlphaG Fr= 1--      0.0322                -0.0278                -0.3376
 Gamma2 Fr= 1--      0.1897                -1.4045                 1.3122
 Delta2 Fr= 1--     -1.2470                 0.3605                 3.3304
 Raman1 Fr= 1--     221.295                345.755                562.988
 ROA1   Fr= 1--     -21.695               -123.298                232.542
 CID1   Fr= 1--      -0.098                 -0.357                  0.413
 Raman2 Fr= 1--      93.283                120.944                 81.171
 ROA2   Fr= 1--      14.529                -36.593                  4.849
 CID2   Fr= 1--       0.156                 -0.303                  0.060
 Raman3 Fr= 1--     186.567                241.889                162.342
 ROA3   Fr= 1--     -21.695               -123.298                232.542
 CID3   Fr= 1--      -0.116                 -0.510                  1.432
 RC180  Fr= 1--       0.686                  0.399                 -0.423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03   0.04   0.00     0.00  -0.00  -0.00     0.05  -0.05  -0.00
     6   6    -0.02  -0.06   0.00    -0.00   0.00   0.00    -0.02  -0.05   0.00
     7   6    -0.00  -0.00   0.00    -0.02  -0.08   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.03   0.00     0.03   0.08  -0.00    -0.01  -0.03   0.00
     9   1     0.41  -0.45  -0.04    -0.01   0.02   0.00    -0.53   0.58   0.05
    10   1     0.23   0.75  -0.01    -0.00  -0.01   0.00     0.18   0.58  -0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    17   1    -0.00  -0.03  -0.00     0.00   0.00   0.00     0.00   0.03   0.00
    18   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.00   0.00   0.00    -0.02   0.02   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00     0.28   0.90  -0.00    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00     0.21  -0.23  -0.02    -0.01   0.01   0.00
    28   1    -0.01  -0.03  -0.00     0.01   0.02  -0.00    -0.01  -0.04  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3199.8583              3206.0767              3707.8465
 Red. masses --      1.0937                 1.0893                 1.0652
 Frc consts  --      6.5981                 6.5969                 8.6286
 IR Inten    --      5.2887                 8.4050               132.4937
 RamAct Fr= 1--    215.0951                82.1205               209.1079
  Dep-P Fr= 1--      0.2237                 0.2638                 0.2342
  Dep-U Fr= 1--      0.3656                 0.4174                 0.3795
 Alpha2 Fr= 1--      2.7409                 0.9362                 2.5896
 Beta2  Fr= 1--     13.1079                 5.7131                13.2254
 AlphaG Fr= 1--     -0.1905                 0.0430                -4.7451
 Gamma2 Fr= 1--     -1.6447                 0.2356               -47.2820
 Delta2 Fr= 1--     -0.7357                -0.0762                -3.6218
 Raman1 Fr= 1--     860.380                328.482                836.432
 ROA1   Fr= 1--    -181.438                 20.176              -4654.966
 CID1   Fr= 1--      -0.211                  0.061                 -5.565
 Raman2 Fr= 1--     157.295                 68.557                158.705
 ROA2   Fr= 1--     -33.588                  6.262              -1105.794
 CID2   Fr= 1--      -0.214                  0.091                 -6.968
 Raman3 Fr= 1--     314.590                137.114                317.409
 ROA3   Fr= 1--    -181.438                 20.176              -4654.966
 CID3   Fr= 1--      -0.577                  0.147                -14.666
 RC180  Fr= 1--      -0.269                 -0.165                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.01  -0.03   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00   0.01  -0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00     0.01   0.05  -0.00     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.02  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.94  -0.32   0.12
    21   6     0.06  -0.06  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00   0.00    -0.02  -0.08   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.09   0.29  -0.00    -0.01  -0.02   0.00    -0.00  -0.00  -0.00
    27   1    -0.65   0.68   0.07    -0.01   0.01   0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01  -0.00     0.29   0.95  -0.00     0.00   0.00  -0.00
    29   1     0.00   0.00   0.00    -0.01   0.01   0.02    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.02   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1299.412138870.282849172.11716
           X            0.99989   0.00987  -0.01143
           Y           -0.00975   0.99990   0.01032
           Z            0.01153  -0.01020   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06666     0.00976     0.00944
 Rotational constants (GHZ):           1.38889     0.20346     0.19676
 Zero-point vibrational energy     658088.0 (Joules/Mol)
                                  157.28681 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     41.14    58.99    65.48   138.36   183.39
          (Kelvin)            200.12   270.18   301.59   306.82   316.68
                              347.02   409.61   433.12   550.71   576.29
                              594.82   653.13   702.38   716.93   753.01
                              767.25   778.67   835.77   867.34   923.41
                              981.87   999.95  1077.16  1124.44  1138.66
                             1171.81  1191.25  1200.75  1248.85  1271.29
                             1316.63  1365.58  1386.24  1402.42  1413.32
                             1456.96  1527.82  1566.87  1588.32  1656.51
                             1689.18  1691.96  1703.22  1715.46  1733.82
                             1762.07  1824.73  1846.27  1869.82  1871.47
                             1885.16  1928.83  1988.79  2027.59  2039.15
                             2051.36  2096.52  2124.41  2146.88  2148.59
                             2155.01  2167.20  2194.88  2224.79  2326.61
                             2379.07  2407.01  2644.57  4332.50  4338.60
                             4392.90  4413.94  4485.10  4506.34  4517.91
                             4537.38  4555.22  4564.65  4580.29  4603.88
                             4612.83  5334.76
 
 Zero-point correction=                           0.250652 (Hartree/Particle)
 Thermal correction to Energy=                    0.265855
 Thermal correction to Enthalpy=                  0.266799
 Thermal correction to Gibbs Free Energy=         0.207181
 Sum of electronic and zero-point Energies=           -767.722802
 Sum of electronic and thermal Energies=              -767.707600
 Sum of electronic and thermal Enthalpies=            -767.706655
 Sum of electronic and thermal Free Energies=         -767.766273
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.827             58.664            125.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.025
 Vibrational            165.049             52.702             50.250
 Vibration     1          0.593              1.984              5.925
 Vibration     2          0.594              1.981              5.210
 Vibration     3          0.595              1.979              5.004
 Vibration     4          0.603              1.952              3.531
 Vibration     5          0.611              1.926              2.984
 Vibration     6          0.615              1.914              2.816
 Vibration     7          0.632              1.857              2.250
 Vibration     8          0.642              1.826              2.047
 Vibration     9          0.644              1.821              2.016
 Vibration    10          0.647              1.810              1.958
 Vibration    11          0.658              1.777              1.794
 Vibration    12          0.683              1.702              1.505
 Vibration    13          0.693              1.672              1.411
 Vibration    14          0.752              1.507              1.028
 Vibration    15          0.766              1.469              0.961
 Vibration    16          0.777              1.441              0.915
 Vibration    17          0.812              1.352              0.784
 Vibration    18          0.844              1.276              0.688
 Vibration    19          0.854              1.254              0.662
 Vibration    20          0.878              1.198              0.602
 Vibration    21          0.888              1.176              0.580
 Vibration    22          0.896              1.159              0.563
 Vibration    23          0.938              1.073              0.484
 Vibration    24          0.961              1.026              0.445
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.504987D-95        -95.296720       -219.428806
 Total V=0       0.989286D+20         19.995322         46.040930
 Vib (Bot)       0.100010-109       -109.999955       -253.284256
 Vib (Bot)    1  0.724191D+01          0.859853          1.979884
 Vib (Bot)    2  0.504641D+01          0.702983          1.618677
 Vib (Bot)    3  0.454439D+01          0.657475          1.513893
 Vib (Bot)    4  0.213572D+01          0.329544          0.758803
 Vib (Bot)    5  0.160045D+01          0.204242          0.470286
 Vib (Bot)    6  0.146229D+01          0.165033          0.380003
 Vib (Bot)    7  0.106666D+01          0.028028          0.064537
 Vib (Bot)    8  0.947684D+00         -0.023336         -0.053734
 Vib (Bot)    9  0.930160D+00         -0.031443         -0.072399
 Vib (Bot)   10  0.898644D+00         -0.046412         -0.106868
 Vib (Bot)   11  0.812528D+00         -0.090162         -0.207605
 Vib (Bot)   12  0.673654D+00         -0.171563         -0.395038
 Vib (Bot)   13  0.631378D+00         -0.199710         -0.459850
 Vib (Bot)   14  0.471456D+00         -0.326559         -0.751930
 Vib (Bot)   15  0.444813D+00         -0.351822         -0.810101
 Vib (Bot)   16  0.426848D+00         -0.369727         -0.851327
 Vib (Bot)   17  0.376552D+00         -0.424174         -0.976698
 Vib (Bot)   18  0.340180D+00         -0.468292         -1.078281
 Vib (Bot)   19  0.330333D+00         -0.481048         -1.107653
 Vib (Bot)   20  0.307459D+00         -0.512213         -1.179415
 Vib (Bot)   21  0.298990D+00         -0.524343         -1.207345
 Vib (Bot)   22  0.292414D+00         -0.534002         -1.229584
 Vib (Bot)   23  0.262091D+00         -0.581548         -1.339063
 Vib (Bot)   24  0.246975D+00         -0.607347         -1.398468
 Vib (V=0)       0.195924D+06          5.292087         12.185480
 Vib (V=0)    1  0.775915D+01          0.889814          2.048872
 Vib (V=0)    2  0.557112D+01          0.745943          1.717596
 Vib (V=0)    3  0.507181D+01          0.705163          1.623698
 Vib (V=0)    4  0.269347D+01          0.430312          0.990829
 Vib (V=0)    5  0.217674D+01          0.337806          0.777827
 Vib (V=0)    6  0.204541D+01          0.310780          0.715598
 Vib (V=0)    7  0.167804D+01          0.224802          0.517625
 Vib (V=0)    8  0.157150D+01          0.196314          0.452029
 Vib (V=0)    9  0.155603D+01          0.192018          0.442137
 Vib (V=0)   10  0.152838D+01          0.184231          0.424207
 Vib (V=0)   11  0.145404D+01          0.162578          0.374349
 Vib (V=0)   12  0.133893D+01          0.126759          0.291874
 Vib (V=0)   13  0.130538D+01          0.115737          0.266495
 Vib (V=0)   14  0.118722D+01          0.074531          0.171614
 Vib (V=0)   15  0.116922D+01          0.067897          0.156339
 Vib (V=0)   16  0.115742D+01          0.063491          0.146192
 Vib (V=0)   17  0.112593D+01          0.051512          0.118612
 Vib (V=0)   18  0.110475D+01          0.043264          0.099619
 Vib (V=0)   19  0.109927D+01          0.041103          0.094643
 Vib (V=0)   20  0.108697D+01          0.036217          0.083392
 Vib (V=0)   21  0.108258D+01          0.034458          0.079344
 Vib (V=0)   22  0.107923D+01          0.033114          0.076247
 Vib (V=0)   23  0.106453D+01          0.027157          0.062531
 Vib (V=0)   24  0.105767D+01          0.024351          0.056069
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.368063D+07          6.565923         15.118595
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3           3333333333333                              111111111111111111111111111111111                                        
     7           2211111110000                              866655544444444333332222111111000999998888877766665555444443322222111    
     0           0087654316511                              3751420999752108410086209877508618764186321984984084329851080842118329442
     8           6033640278351                              8347666832776792101038552464149232539548584129522311338843131510308976619
 
     X           XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXX
     X                    X  X                              XXX XXX     X   XXXXXXXX  X    X      X           X                      
     X                                                      XXX         X   XXXX XX        X                  X                      
     X                                                      X X             XXX  X                                                   
     X                                                      X X             XXX                                                      
     X                                                      X X             XX                                                       
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000337   -0.000000230    0.000000335
      2        6           0.000000126   -0.000000829   -0.000000408
      3        6          -0.000000338   -0.000002850   -0.000001340
      4        6          -0.000000405    0.000006186   -0.000001624
      5        6          -0.000000071   -0.000002378    0.000000403
      6        6           0.000000532   -0.000000032    0.000000343
      7        6          -0.000000966   -0.000000368   -0.000000839
      8        1          -0.000000105    0.000000407    0.000000498
      9        1           0.000000512    0.000000551   -0.000000024
     10        1           0.000000641    0.000001043    0.000000213
     11        6          -0.000002964   -0.000002527    0.000008114
     12        6          -0.000003050   -0.000001811   -0.000002639
     13        6           0.000006032    0.000002259   -0.000013425
     14        1           0.000001803    0.000000799    0.000000386
     15        1           0.000000234    0.000000900   -0.000000225
     16        1           0.000000817    0.000000267    0.000000771
     17        1           0.000001580   -0.000000032    0.000001236
     18        8          -0.000005136    0.000001087    0.000002887
     19        8          -0.000002103   -0.000000020    0.000009654
     20        1           0.000000498   -0.000000705   -0.000001911
     21        6           0.000000649   -0.000000930   -0.000000294
     22        6          -0.000000400    0.000000203    0.000000251
     23        6           0.000001767    0.000001201   -0.000000243
     24        8           0.000000428    0.000001491   -0.000000973
     25        6          -0.000001154   -0.000004218    0.000000231
     26        1          -0.000000035   -0.000000636    0.000000030
     27        1           0.000000034   -0.000000484   -0.000000252
     28        1           0.000001276    0.000000577   -0.000000102
     29        1          -0.000000129    0.000000253   -0.000000163
     30        1          -0.000000263    0.000000199   -0.000000333
     31        1          -0.000000145    0.000000627   -0.000000556
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013425 RMS     0.000002467
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.310669D+03 -0.949668D+01 -0.135994D+02
      2  -0.949668D+01  0.173312D+03  0.217342D+01
      3  -0.135994D+02  0.217342D+01  0.119651D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.354297D+01 -0.250281D+02  0.303946D+01
      2   0.486822D+02  0.527599D+00  0.346548D+02
      3   0.842215D+02  0.687165D+02 -0.279835D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.288527D+03 -0.900370D+02  0.436323D+02
      2   0.884956D+02  0.703319D+02  0.413003D+01
      3   0.200031D+03  0.197052D+02 -0.477624D+02
      4  -0.846530D+02 -0.172868D+03 -0.119038D+01
      5  -0.312007D+02 -0.284049D+01  0.824896D+02
      6  -0.358832D+01 -0.452697D+02 -0.131686D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.354012D+02 -0.188684D+01 -0.201039D+01  0.464380D+02 -0.733662D+01
      2  -0.188684D+01 -0.523945D-01  0.272862D+00 -0.733662D+01  0.858809D+01
      3  -0.201039D+01  0.272862D+00 -0.185776D+00 -0.349027D+01  0.741216D+00
                 6             7             8             9            10 
      1  -0.349027D+01 -0.128934D+01 -0.112181D+00  0.115813D+01 -0.389494D+02
      2   0.741216D+00 -0.112181D+00  0.152837D+00  0.119316D+01  0.313886D+01
      3  -0.682532D-01  0.115813D+01  0.119316D+01 -0.515949D-01  0.227473D+01
                11            12            13            14            15 
      1   0.313886D+01  0.227473D+01 -0.462145D+02  0.655118D+01  0.355106D+01
      2  -0.401315D+01 -0.224278D+00  0.655118D+01 -0.705770D+01 -0.770183D+00
      3  -0.224278D+00  0.524365D-02  0.355106D+01 -0.770183D+00  0.171235D+00
                16            17            18            19            20 
      1   0.218426D+01 -0.137906D+00 -0.119153D+01 -0.476655D+02  0.496995D+01
      2  -0.137906D+00  0.230494D+00 -0.970378D+00  0.496995D+01 -0.447304D+01
      3  -0.119153D+01 -0.970378D+00 -0.611186D-01  0.208906D+01 -0.247291D+00
                21            22            23            24            25 
      1   0.208906D+01  0.225238D+02 -0.235332D+01 -0.279647D+00  0.498903D+01
      2  -0.247291D+00 -0.235332D+01  0.311598D+01  0.297210D+00  0.180357D+00
      3  -0.695221D+00 -0.279647D+00  0.297210D+00  0.250986D+01  0.166794D+01
                26            27            28            29            30 
      1   0.180357D+00  0.166794D+01  0.558174D+02 -0.316358D+01 -0.150475D+01
      2   0.277921D+00  0.382072D+01 -0.316358D+01  0.401635D+01  0.262594D+00
      3   0.382072D+01  0.122507D-01 -0.150475D+01  0.262594D+00  0.253163D+01
                31            32            33            34            35 
      1  -0.560411D+01  0.121945D+01  0.136607D+00 -0.126101D+01  0.215194D+00
      2   0.121945D+01 -0.737719D+01 -0.654306D+00  0.215194D+00 -0.975635D+00
      3   0.136607D+00 -0.654306D+00 -0.698606D+00  0.690117D+01 -0.658177D+00
                36            37            38            39            40 
      1   0.690117D+01  0.630332D+01 -0.605650D+00 -0.275443D+00 -0.123016D+02
      2  -0.658177D+00 -0.605650D+00  0.877347D+01  0.339721D+00  0.141809D+01
      3  -0.972318D+00 -0.275443D+00  0.339721D+00  0.160618D+01  0.837849D-01
                41            42            43            44            45 
      1   0.141809D+01  0.837849D-01 -0.135661D+01 -0.116431D+00  0.431952D+01
      2   0.327202D+01  0.163707D+00 -0.116431D+00 -0.731376D+00 -0.247124D+01
      3   0.163707D+00 -0.122262D+01  0.431952D+01 -0.247124D+01 -0.129720D+01
                46            47            48            49            50 
      1  -0.850540D+01  0.126572D+01  0.978790D+00 -0.270358D+01  0.185931D+01
      2   0.126572D+01 -0.565208D+01 -0.904139D+00  0.185931D+01 -0.199952D+00
      3   0.978790D+00 -0.904139D+00 -0.131672D+01  0.190079D+00 -0.577040D-01
                51            52            53            54            55 
      1   0.190079D+00  0.593243D+00 -0.552351D+00 -0.103562D+01  0.121168D+02
      2  -0.577040D-01 -0.552351D+00  0.759411D+00 -0.402462D+01 -0.401036D+01
      3  -0.138502D+01 -0.103562D+01 -0.402462D+01 -0.571123D-01 -0.994826D+00
                56            57            58            59            60 
      1  -0.401036D+01 -0.994826D+00  0.704866D+00 -0.152944D+01  0.112139D+00
      2   0.985698D+01  0.728622D+00 -0.152944D+01 -0.221576D+00 -0.282876D-01
      3   0.728622D+00  0.144242D+01  0.112139D+00 -0.282876D-01  0.143961D+01
                61            62            63            64            65 
      1  -0.107405D+01  0.638428D+00  0.806369D+00  0.110213D+01  0.220924D+01
      2   0.638428D+00 -0.109608D+01  0.406716D+01  0.220924D+01  0.161672D+01
      3   0.806369D+00  0.406716D+01 -0.180377D+00 -0.934183D-01 -0.166130D+00
                66            67            68            69            70 
      1  -0.934183D-01  0.245303D+01  0.313444D+01 -0.161572D+00 -0.299883D+00
      2  -0.166130D+00  0.313444D+01  0.774641D+01 -0.263741D+00 -0.152406D+00
      3   0.160242D+00 -0.161572D+00 -0.263741D+00  0.751729D+00 -0.139719D+00
                71            72            73            74            75 
      1  -0.152406D+00 -0.139719D+00  0.613281D+01 -0.306808D+01 -0.649013D+00
      2  -0.478800D-01  0.168565D+00 -0.306808D+01  0.271289D+01  0.272174D+00
      3   0.168565D+00 -0.689514D-01 -0.649013D+00  0.272174D+00  0.536645D+00
                76            77            78            79            80 
      1  -0.414354D+01  0.423125D+01  0.472976D+00 -0.748928D+00  0.234836D+00
      2   0.423125D+01 -0.510563D+01 -0.474622D+00  0.234836D+00 -0.202265D+00
      3   0.472976D+00 -0.474622D+00 -0.697521D+00 -0.333287D+00 -0.238626D+00
                81            82            83            84            85 
      1  -0.333287D+00 -0.850363D+00 -0.154498D+01  0.252605D-01 -0.748984D+00
      2  -0.238626D+00 -0.154498D+01 -0.215010D+01  0.515768D-01 -0.137610D+01
      3   0.232714D-01  0.252605D-01  0.515768D-01 -0.159262D+00 -0.659064D-01
                86            87            88            89            90 
      1  -0.137610D+01 -0.659064D-01  0.153336D+00  0.127212D+00  0.427651D-01
      2  -0.102918D+02 -0.165044D+00  0.127212D+00 -0.452794D-01 -0.236759D+00
      3  -0.165044D+00 -0.834749D+00  0.427651D-01 -0.236759D+00 -0.216704D-01
                91            92            93            94            95 
      1  -0.210472D+02  0.206351D+01  0.472199D-01  0.244447D+01 -0.655336D+00
      2   0.206351D+01 -0.427021D+00 -0.559895D-01 -0.655336D+00 -0.513848D+01
      3   0.472199D-01 -0.559895D-01 -0.347491D+01 -0.124068D+01  0.612439D-01
                96            97            98            99           100 
      1  -0.124068D+01 -0.137851D+01 -0.329571D+00 -0.841509D+01 -0.770525D+01
      2   0.612439D-01 -0.329571D+00 -0.404522D+00  0.127007D+01 -0.224728D+01
      3   0.122049D+01 -0.841509D+01  0.127007D+01  0.614955D-01  0.173796D+01
               101           102           103           104           105 
      1  -0.224728D+01  0.173796D+01 -0.703267D+01  0.627961D+00  0.105747D+01
      2   0.253896D+00 -0.311941D+00  0.627961D+00  0.447229D+01  0.129021D+01
      3  -0.311941D+00  0.342782D+01  0.105747D+01  0.129021D+01 -0.282916D+01
               106           107           108           109           110 
      1  -0.539538D+01  0.526171D+00  0.578688D+01 -0.816879D+01  0.269300D+01
      2   0.526171D+00  0.562400D+00 -0.221253D+01  0.269300D+01 -0.865962D+00
      3   0.578688D+01 -0.221253D+01 -0.288413D+00 -0.464319D+00  0.415020D+00
               111           112           113           114           115 
      1  -0.464319D+00  0.257195D+01 -0.577654D+00  0.946964D+00  0.107716D+02
      2   0.415020D+00 -0.577654D+00  0.101064D+01  0.216718D+00 -0.709919D+00
      3   0.112500D+01  0.946964D+00  0.216718D+00 -0.574037D+00  0.523057D+01
               116           117           118           119           120 
      1  -0.709919D+00  0.523057D+01 -0.111937D+01  0.139288D+01  0.223472D-01
      2   0.112712D+01 -0.622290D+00  0.139288D+01  0.818564D+00 -0.995629D-01
      3  -0.622290D+00  0.465262D+00  0.223472D-01 -0.995629D-01  0.849264D+00
               121           122           123           124           125 
      1   0.323860D+01  0.202994D+01 -0.367996D-01  0.709023D+00 -0.488740D-01
      2   0.202994D+01  0.668305D+01 -0.328923D+00 -0.488740D-01 -0.291482D-01
      3  -0.367996D-01 -0.328923D+00  0.144220D+01  0.121657D+01  0.856136D+00
               126           127           128           129           130 
      1   0.121657D+01  0.160156D+02  0.126018D+01 -0.363825D+01  0.316639D+01
      2   0.856136D+00  0.126018D+01  0.110478D+01 -0.182840D+00  0.151922D+01
      3  -0.295287D+00 -0.363825D+01 -0.182840D+00  0.220799D+01 -0.938413D+00
               131           132           133           134           135 
      1   0.151922D+01 -0.938413D+00 -0.870074D+00 -0.218613D+00  0.111280D+01
      2   0.271425D+00 -0.501221D+00 -0.218613D+00  0.119778D-01  0.414769D+00
      3  -0.501221D+00  0.923149D+00  0.111280D+01  0.414769D+00 -0.484526D+00
               136           137           138           139           140 
      1  -0.349074D+00  0.536775D+00 -0.903404D+00  0.131571D+01 -0.285939D-01
      2   0.536775D+00 -0.602062D+00  0.514220D+00 -0.285939D-01  0.743243D+00
      3  -0.903404D+00  0.514220D+00 -0.307524D+01 -0.237981D+00 -0.159027D+01
               141           142           143           144           145 
      1  -0.237981D+00 -0.316051D+00 -0.489518D-01 -0.449650D+00  0.704076D+00
      2  -0.159027D+01 -0.489518D-01 -0.123057D+01  0.158568D+01 -0.726738D+00
      3   0.277655D+01 -0.449650D+00  0.158568D+01 -0.691523D+01 -0.130473D+00
               146           147           148           149           150 
      1  -0.726738D+00 -0.130473D+00 -0.238238D+01  0.857746D+00  0.978689D+00
      2   0.798177D-01  0.359936D-01  0.857746D+00 -0.605866D+01 -0.169939D+01
      3   0.359936D-01 -0.545945D+00  0.978689D+00 -0.169939D+01 -0.200576D+01
               151           152           153           154           155 
      1   0.165411D+00  0.226062D+00 -0.161908D+00  0.206487D+02 -0.358641D+01
      2   0.226062D+00 -0.719409D+00 -0.794922D+00 -0.358641D+01  0.218189D+01
      3  -0.161908D+00 -0.794922D+00 -0.734585D+00  0.116809D+01 -0.341803D+00
               156           157           158           159           160 
      1   0.116809D+01 -0.677941D+01  0.475671D+01 -0.693742D+00  0.140945D+01
      2  -0.341803D+00  0.475671D+01 -0.310439D+01  0.254518D+00 -0.326590D+00
      3   0.301787D+01 -0.693742D+00  0.254518D+00 -0.108324D+01  0.239756D+01
               161           162           163           164           165 
      1  -0.326590D+00  0.239756D+01  0.150404D+02 -0.144859D+01  0.452246D+01
      2  -0.316094D+00 -0.824081D+00 -0.144859D+01  0.216766D+00  0.281195D+00
      3  -0.824081D+00 -0.205509D+00  0.452246D+01  0.281195D+00  0.137489D+01
               166           167           168           169           170 
      1  -0.469854D+01  0.343129D+00 -0.907936D+00  0.805754D+00  0.675818D+00
      2   0.343129D+00  0.148470D+00  0.148628D+01  0.675818D+00  0.431019D+00
      3  -0.907936D+00  0.148628D+01 -0.656642D+00  0.734694D+00  0.351104D+00
               171           172           173           174           175 
      1   0.734694D+00 -0.117589D+02  0.974272D+00 -0.246797D+01  0.344585D+01
      2   0.351104D+00  0.974272D+00 -0.371684D+00 -0.281771D+00 -0.431572D-01
      3   0.763595D+01 -0.246797D+01 -0.281771D+00 -0.326841D+01  0.767404D+00
               176           177           178           179           180 
      1  -0.431572D-01  0.767404D+00 -0.680843D+01  0.917491D-01 -0.247181D+01
      2   0.634976D+00  0.803578D+00  0.917491D-01  0.917747D+00  0.269402D+00
      3   0.803578D+00  0.117422D+01 -0.247181D+01  0.269402D+00  0.432993D+00
               181           182           183           184           185 
      1  -0.126804D+02  0.186752D+01  0.475474D+00  0.704135D+01  0.684153D+00
      2   0.186752D+01 -0.107703D+02  0.929734D-01  0.684153D+00 -0.555335D+01
      3   0.475474D+00  0.929734D-01 -0.175743D+01 -0.316538D+00 -0.978757D-01
               186           187           188           189           190 
      1  -0.316538D+00  0.251254D+00  0.248391D+00 -0.521672D+01 -0.358434D+02
      2  -0.978757D-01  0.248391D+00  0.649477D+00  0.307555D+01  0.104602D+01
      3   0.100971D+01 -0.521672D+01  0.307555D+01  0.112349D+01  0.177018D+01
               191           192           193           194           195 
      1   0.104602D+01  0.177018D+01  0.157291D+02 -0.101312D+01 -0.847062D+00
      2  -0.717052D+01 -0.157625D+00 -0.101312D+01  0.132587D+02  0.109524D+00
      3  -0.157625D+00 -0.286642D+01 -0.847062D+00  0.109524D+00  0.442626D+00
               196           197           198           199           200 
      1   0.221820D+01  0.105653D+00 -0.701169D+01  0.425516D+02 -0.423498D+01
      2   0.105653D+00  0.879757D+00  0.595977D+00 -0.423498D+01  0.807285D+01
      3  -0.701169D+01  0.595977D+00  0.125971D+01 -0.282652D+01 -0.428944D-02
               201           202           203           204           205 
      1  -0.282652D+01 -0.183762D+02 -0.596241D+00  0.113024D+01 -0.406839D+01
      2  -0.428944D-02 -0.596241D+00 -0.528848D+01  0.958090D-01  0.154824D-01
      3   0.365813D+00  0.113024D+01  0.958090D-01 -0.231114D+01  0.269634D+00
               206           207           208           209           210 
      1   0.154824D-01  0.269634D+00  0.382792D+01  0.117094D+01 -0.337117D+00
      2  -0.632503D+00 -0.379714D+01  0.117094D+01  0.240523D+01  0.931301D-01
      3  -0.379714D+01 -0.270103D+00 -0.337117D+00  0.931301D-01  0.182455D+00
               211           212           213           214           215 
      1   0.351943D+00 -0.217420D+01 -0.220668D+00 -0.407851D+00 -0.966852D-01
      2  -0.217420D+01  0.166815D+01  0.238189D+00 -0.966852D-01 -0.192985D+00
      3  -0.220668D+00  0.238189D+00 -0.105610D+01 -0.487255D+00  0.468643D+00
               216           217           218           219           220 
      1  -0.487255D+00  0.173843D+01 -0.179938D+01 -0.332559D+00 -0.230657D+01
      2   0.468643D+00 -0.179938D+01 -0.317032D+01  0.473682D+00  0.775865D+00
      3   0.791415D-01 -0.332559D+00  0.473682D+00 -0.221643D+01  0.705616D+00
               221           222           223           224           225 
      1   0.775865D+00  0.705616D+00 -0.125207D-01  0.528079D+00  0.111313D+01
      2  -0.978916D+00 -0.301028D+00  0.528079D+00  0.672378D-01  0.424186D+01
      3  -0.301028D+00  0.564121D+01  0.111313D+01  0.424186D+01  0.387012D+00
               226           227           228           229           230 
      1   0.597876D+00  0.129176D+01 -0.254552D-01  0.280179D+00  0.684219D+00
      2   0.129176D+01  0.239703D+01 -0.535062D-01  0.684219D+00  0.108649D+02
      3  -0.254552D-01 -0.535062D-01  0.172130D+00  0.610738D-01  0.908749D-01
               231           232           233           234           235 
      1   0.610738D-01 -0.395186D-01 -0.650390D-01 -0.171372D+00 -0.736072D+01
      2   0.908749D-01 -0.650390D-01  0.451421D-01  0.294521D+00  0.472801D+01
      3   0.842750D+00 -0.171372D+00  0.294521D+00  0.501159D-01  0.657765D+00
               236           237           238           239           240 
      1   0.472801D+01  0.657765D+00  0.547161D+01 -0.529511D+01 -0.483384D+00
      2  -0.403892D+01 -0.415432D+00 -0.529511D+01  0.611591D+01  0.518990D+00
      3  -0.415432D+00 -0.669102D+00 -0.483384D+00  0.518990D+00  0.804309D+00
               241           242           243           244           245 
      1   0.823983D+00 -0.494551D+00  0.157035D+00 -0.161214D+01 -0.212964D+01
      2  -0.494551D+00  0.463689D+00  0.375342D+00 -0.212964D+01 -0.121787D+01
      3   0.157035D+00  0.375342D+00  0.491976D-01  0.682105D-01  0.145491D+00
               246           247           248           249           250 
      1   0.682105D-01 -0.331708D+01 -0.322398D+01  0.120770D+00  0.152415D-01
      2   0.145491D+00 -0.322398D+01 -0.671306D+01  0.847793D-01  0.107978D+00
      3  -0.871928D-01  0.120770D+00  0.847793D-01 -0.570184D+00 -0.411689D-01
               251           252           253           254           255 
      1   0.107978D+00 -0.411689D-01  0.501926D+00  0.472704D+00 -0.677187D+00
      2  -0.622572D-01  0.485838D-01  0.472704D+00  0.533687D+00  0.348569D-01
      3   0.485838D-01 -0.139024D-01 -0.677187D+00  0.348569D-01  0.927576D+00
               256           257           258           259           260 
      1  -0.951793D+00 -0.180688D+01 -0.119189D+01 -0.394035D+01 -0.233532D+01
      2  -0.180688D+01 -0.271228D+01 -0.196606D+01 -0.233532D+01 -0.255376D+01
      3  -0.119189D+01 -0.196606D+01 -0.235774D+01 -0.226963D+01 -0.275120D+01
               261           262           263           264           265 
      1  -0.226963D+01 -0.161733D+02 -0.137805D+01  0.108377D+01  0.112330D+01
      2  -0.275120D+01 -0.137805D+01 -0.106738D+01  0.740312D-01 -0.111966D+01
      3  -0.485219D+01  0.108377D+01  0.740312D-01 -0.116176D+01 -0.958294D-01
               266           267           268           269           270 
      1  -0.111966D+01 -0.958294D-01  0.116315D+01  0.833879D-01 -0.159015D+01
      2   0.215578D+00  0.114195D+00  0.833879D-01  0.117391D+00 -0.484084D+00
      3   0.114195D+00 -0.117928D+00 -0.159015D+01 -0.484084D+00  0.320136D+00
               271           272           273           274           275 
      1   0.128911D+01  0.749233D+00  0.409800D+00 -0.739255D+00 -0.156327D+01
      2   0.749233D+00  0.100192D+01 -0.641544D+00 -0.156327D+01 -0.300839D+01
      3   0.409800D+00 -0.641544D+00  0.154666D+01  0.893436D+00  0.233161D+01
               276           277           278           279 
      1   0.893436D+00  0.301397D+01  0.174059D+01 -0.192819D+01
      2   0.233161D+01  0.174059D+01  0.254615D+01 -0.301119D+01
      3  -0.268097D+01 -0.192819D+01 -0.301119D+01  0.487006D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.201762D+01  0.318536D+01  0.222356D+00  0.523590D+01 -0.312066D+01
      2   0.902893D+01 -0.198558D+00  0.262897D+00  0.106041D+02 -0.120319D+01
      3   0.345623D+02  0.288221D+02 -0.174915D+01  0.539801D+02 -0.172538D+02
                 6             7             8             9            10 
      1  -0.657392D+00 -0.399300D+01  0.670630D+01  0.307557D+00 -0.105336D+01
      2   0.748291D+00 -0.196603D+02  0.248449D+01  0.149482D+01 -0.135857D+02
      3  -0.372974D+01  0.427098D-01 -0.352197D+01  0.199102D+01 -0.238873D+02
                11            12            13            14            15 
      1   0.404716D+01  0.547792D+00  0.294528D+01 -0.743554D+00  0.122073D+00
      2   0.749250D+00 -0.398304D+01 -0.112712D+02  0.139153D+01  0.350326D+00
      3   0.319294D+02  0.186320D+01  0.449362D+02 -0.225685D+02 -0.389799D+01
                16            17            18            19            20 
      1  -0.365207D+01  0.792155D+01  0.326699D+00 -0.300990D+01 -0.107046D+01
      2  -0.213123D+02  0.117244D+01  0.180206D+01 -0.160759D+02  0.241867D+01
      3   0.333149D+01 -0.354169D+01 -0.132102D+01 -0.466215D+02 -0.221284D+02
                21            22            23            24            25 
      1   0.108788D+01 -0.739722D+00 -0.124510D+01 -0.308027D+01 -0.691470D+01
      2  -0.697392D+00  0.819614D+01 -0.151393D+01  0.224793D+01 -0.174437D+02
      3   0.260975D+01  0.181806D+02 -0.267722D+01 -0.493419D+00  0.290265D+01
                26            27            28            29            30 
      1  -0.426738D-01 -0.170823D+01 -0.985883D+00  0.134210D+01 -0.494280D+00
      2   0.747489D+01  0.164867D+01  0.204317D+02 -0.171315D+01  0.141573D+01
      3   0.230854D+01 -0.316353D+01  0.218093D+02  0.738097D+01 -0.964604D+00
                31            32            33            34            35 
      1   0.577696D+01  0.258545D+01  0.253626D+01 -0.269946D+01  0.144804D+02
      2  -0.718378D+00  0.609509D+00 -0.174227D+01 -0.158845D+02  0.220821D+01
      3   0.241296D+02  0.212891D+01  0.521303D+00  0.129884D+01 -0.167574D+01
                36            37            38            39            40 
      1   0.117958D+01 -0.346401D+00 -0.218721D+01  0.327633D+01 -0.136082D+01
      2   0.141957D+01 -0.264535D+00 -0.455615D+00  0.135554D+01 -0.553620D+01
      3   0.389518D+01 -0.249454D+02 -0.315608D+01  0.538564D+00 -0.743256D+01
                41            42            43            44            45 
      1  -0.232103D+01 -0.102598D+01  0.157988D+02  0.663038D+01 -0.893635D+00
      2   0.826944D+00 -0.146372D+01 -0.112809D+02 -0.666963D+01  0.158979D+01
      3  -0.904000D+01 -0.132663D+01 -0.946594D+00 -0.138641D+01 -0.530459D+01
                46            47            48            49            50 
      1   0.166822D+01 -0.649965D+00 -0.373940D+01 -0.147210D+01  0.190044D+01
      2  -0.206572D+01  0.702692D-01  0.138505D+01 -0.559825D+00  0.301851D+00
      3   0.458525D+02 -0.272686D+02 -0.268960D+01 -0.139921D+02  0.220506D+02
                51            52            53            54            55 
      1  -0.239029D+01 -0.875643D+01 -0.270091D+01  0.276926D+01  0.206723D+01
      2  -0.592816D+00 -0.186407D+02 -0.619689D+00  0.775875D+00 -0.110624D+01
      3   0.190269D+01 -0.387113D+01  0.260953D+01  0.594252D+01  0.267676D+02
                56            57            58            59            60 
      1  -0.354736D+01 -0.437638D+01  0.125343D+00  0.209849D+01 -0.248144D+01
      2  -0.145951D+01 -0.387911D+01  0.102627D+01 -0.558591D+00 -0.339383D+01
      3  -0.158602D+02 -0.800475D+00 -0.663870D+00  0.217485D+02  0.208814D+00
                61            62            63            64            65 
      1  -0.757652D+01 -0.415822D+01  0.121664D+01 -0.480568D+00  0.533206D-01
      2  -0.234353D+02 -0.652821D+01  0.179916D+01 -0.194682D-01  0.443338D+00
      3  -0.119784D+01  0.165489D+01  0.129503D+02  0.108220D+00  0.717155D+00
                66            67            68            69            70 
      1  -0.112987D+01 -0.564307D+00 -0.161650D+01 -0.387986D+01  0.301934D+00
      2   0.291504D+00  0.643673D+00  0.559005D+00  0.142394D+01 -0.178701D+01
      3   0.102034D+00  0.473658D+01 -0.479535D+01 -0.355693D-01  0.159632D-01
                71            72            73            74            75 
      1   0.198987D+01  0.257270D+00 -0.529918D+00 -0.550073D+00  0.258964D+01
      2  -0.829760D+00 -0.762604D-01  0.199614D+01 -0.989948D+00  0.160854D+01
      3  -0.241817D+00  0.511372D+00 -0.926328D+01  0.104187D+00  0.831687D+00
                76            77            78            79            80 
      1  -0.101215D+01  0.142473D+01 -0.272604D+01 -0.211109D+01  0.146204D+01
      2  -0.132605D+01  0.111000D+01 -0.234533D+01 -0.248941D+01  0.137633D+00
      3   0.160390D+01  0.250817D+01  0.331020D-01  0.194572D+01  0.348932D-01
                81            82            83            84            85 
      1   0.760847D-01  0.790367D+00  0.923039D+00 -0.121324D+01  0.343707D+00
      2  -0.745749D-01 -0.210196D+00 -0.373211D+00  0.664108D+00 -0.247651D+00
      3   0.741420D+00  0.525536D+01  0.247305D+01 -0.243640D+00  0.507805D+01
                86            87            88            89            90 
      1   0.284822D+01 -0.435114D+01  0.116596D+01  0.183877D+01 -0.850300D-01
      2  -0.495827D+00  0.102597D+01 -0.384630D+00  0.969347D+00  0.111773D-01
      3   0.393976D+01  0.910188D-01 -0.548724D+00 -0.243587D+00 -0.112773D+01
                91            92            93            94            95 
      1  -0.221884D+01  0.639224D+00  0.787828D+00  0.234101D+01  0.229759D+01
      2  -0.141954D+02  0.107378D+01 -0.777272D+01 -0.974762D+00 -0.936543D+00
      3  -0.131820D+02 -0.532956D+01  0.439400D-01  0.111572D+02  0.235023D+02
                96            97            98            99           100 
      1  -0.272254D+01  0.328857D+01  0.354780D+01 -0.943467D+00  0.414838D+01
      2   0.308517D+01 -0.393013D+02  0.446910D+01 -0.363637D+01 -0.131015D+02
      3  -0.855492D+00  0.335493D+00  0.503219D+00 -0.886887D+01  0.148995D+02
               101           102           103           104           105 
      1  -0.236423D+01  0.760416D+00  0.371733D+00 -0.108306D+02 -0.679935D+01
      2  -0.429254D+01  0.213528D+02 -0.306900D+01  0.631834D+01 -0.109129D+02
      3  -0.571739D+01 -0.677395D+00 -0.426777D+00 -0.235882D+02 -0.607749D+01
               106           107           108           109           110 
      1  -0.125352D+01 -0.834064D+00  0.695047D+01  0.764661D+01 -0.252933D+01
      2   0.163729D+02 -0.885184D+01  0.788596D+01  0.155610D+02 -0.155489D+01
      3  -0.372960D+01 -0.463499D+01  0.107978D+02  0.148765D+00  0.143112D+02
               111           112           113           114           115 
      1  -0.797234D+01 -0.132425D+02  0.268588D+01 -0.140398D+02 -0.805772D+01
      2   0.239214D+01  0.130271D+01  0.158945D+01  0.777200D+01  0.151731D+02
      3   0.186114D+01  0.196647D+02 -0.157339D+02  0.164226D+01  0.761784D+01
               116           117           118           119           120 
      1  -0.405728D+01 -0.284980D+01 -0.651037D+00 -0.664013D+00 -0.289482D+00
      2   0.111087D+01  0.773758D+00 -0.340756D+00  0.367088D+00  0.345490D+01
      3   0.553946D+00  0.560749D+01 -0.767627D+01 -0.273437D+01  0.196874D+00
               121           122           123           124           125 
      1  -0.863937D+00 -0.372384D+01 -0.242969D+01 -0.265331D+00  0.326074D+00
      2   0.118496D+01  0.445248D+00  0.461231D+01  0.235084D+01  0.248046D+01
      3  -0.184092D+01 -0.240714D+02  0.974020D+00  0.947951D+00 -0.103801D+00
               126           127           128           129           130 
      1   0.192963D+00 -0.216700D+01 -0.317963D+01 -0.764711D-01 -0.305430D+01
      2  -0.397273D+00  0.127863D+02  0.168202D+01  0.650257D+01  0.160905D+01
      3  -0.193679D+01 -0.505209D+01 -0.755378D+01  0.732805D+00 -0.555422D+01
               131           132           133           134           135 
      1  -0.702146D-01 -0.925557D-01  0.707394D+00  0.805347D+00 -0.880718D+00
      2   0.450013D+00  0.273492D+01  0.242154D+01  0.871091D+00  0.439566D+00
      3  -0.376135D+00  0.190712D+01  0.418164D+00  0.169920D+01 -0.158883D+01
               136           137           138           139           140 
      1  -0.184721D+01  0.270630D+01 -0.940147D+00  0.107633D+01 -0.202004D+01
      2  -0.678316D+01  0.337692D+01 -0.131272D+02  0.227850D+01 -0.645596D+01
      3  -0.282889D+01  0.237994D+01 -0.192656D+01  0.198147D+01 -0.244344D+01
               141           142           143           144           145 
      1   0.210941D+01 -0.256573D-01  0.460045D+01 -0.350012D+01  0.260343D+01
      2   0.106421D+02 -0.591699D+01  0.681060D+01 -0.278038D+02 -0.142832D+00
      3   0.581057D+01  0.275939D+00  0.425103D+01 -0.623296D+01  0.467916D+01
               146           147           148           149           150 
      1   0.205565D+00 -0.465618D+00 -0.330255D+00  0.139847D+02  0.459834D+00
      2  -0.119144D+01 -0.178965D+01 -0.802387D+00 -0.566599D+01 -0.623595D+01
      3   0.312015D+00 -0.572113D+00  0.105237D+01  0.265682D+02  0.620470D+01
               151           152           153           154           155 
      1  -0.566172D+00  0.230172D+01  0.133109D+01 -0.584733D+01  0.301448D+01
      2  -0.109176D+01 -0.243956D+01 -0.297434D+01 -0.827308D+01  0.117094D+01
      3  -0.181529D+01  0.247649D+01  0.330794D+01  0.132996D+02 -0.230985D+02
               156           157           158           159           160 
      1   0.401558D+01  0.910903D+01 -0.388581D+01 -0.659571D+00  0.200729D+01
      2   0.225566D+02 -0.394577D+01 -0.190833D+01 -0.987170D+01  0.604498D+01
      3   0.205636D+00 -0.196301D+02  0.190318D+02 -0.162780D+01  0.864290D-02
               161           162           163           164           165 
      1   0.289159D+01 -0.649633D+00 -0.874835D+01  0.263423D+01  0.539015D+00
      2  -0.329870D+01 -0.230285D+01 -0.124120D+02  0.463214D+01  0.205210D+01
      3  -0.106896D+01  0.307005D+01  0.118118D+02 -0.421961D+01  0.730441D+00
               166           167           168           169           170 
      1   0.708229D+01 -0.890135D-01  0.458992D+01 -0.145327D+01  0.877658D+01
      2   0.629863D+01  0.512065D+01 -0.337721D+01 -0.689452D+01  0.112417D+01
      3  -0.366944D+01  0.496613D-01 -0.765050D+01 -0.204045D+01 -0.246307D+01
               171           172           173           174           175 
      1  -0.887018D+00  0.859515D+01 -0.254589D+01  0.206993D+01 -0.728374D+01
      2   0.261653D+02  0.230487D+02 -0.396403D+01 -0.691803D+01 -0.604049D+01
      3  -0.180056D+01 -0.937592D+01  0.238092D+01 -0.119398D+01  0.722293D+01
               176           177           178           179           180 
      1   0.578792D+00 -0.270966D+01  0.244771D+01 -0.812782D+00  0.105753D+01
      2   0.354326D+01  0.285767D+01 -0.119996D+01  0.474615D+00  0.363389D+01
      3  -0.107393D+01 -0.811883D+00 -0.468875D+01  0.308884D+00 -0.188534D+01
               181           182           183           184           185 
      1  -0.366032D+00  0.187598D+01  0.449588D+01 -0.112700D+01 -0.151367D+01
      2  -0.140192D+01  0.773428D-01  0.639349D+01  0.139168D+01  0.163662D+01
      3  -0.236110D+02 -0.818961D+01  0.123807D+01 -0.508988D+01 -0.282605D+02
               186           187           188           189           190 
      1  -0.139696D+01  0.171222D+02  0.742892D+01 -0.237217D+01 -0.146095D+01
      2  -0.160720D+01  0.233143D+01 -0.118668D+02 -0.217428D+01 -0.800976D+01
      3  -0.382890D+00  0.514279D-01 -0.730669D+00 -0.265991D+01 -0.232952D+02
               191           192           193           194           195 
      1   0.434692D+01  0.130143D+01  0.500103D+01 -0.101625D+01  0.303941D+01
      2  -0.179574D+00 -0.658804D+00  0.290076D+01 -0.173511D+01 -0.112534D+01
      3   0.192938D+02  0.215529D+01  0.596930D+02  0.220732D+02 -0.430293D+01
               196           197           198           199           200 
      1  -0.326823D+01  0.142729D+02  0.585533D+00  0.426642D+00 -0.305780D+01
      2   0.170687D+01 -0.164183D+01 -0.154523D+01  0.975074D+01 -0.460875D-01
      3   0.374704D+01 -0.252704D+01  0.130740D+00  0.138703D+02 -0.224851D+02
               201           202           203           204           205 
      1  -0.395175D+00 -0.116293D+01  0.104110D+01 -0.257051D+01 -0.121923D+01
      2   0.280887D+01 -0.315513D+01 -0.289657D+00  0.439313D+01 -0.224611D+02
      3  -0.199797D+01 -0.184445D+02 -0.374438D+00  0.205119D+01 -0.282721D+01
               206           207           208           209           210 
      1   0.259861D+01  0.432480D+00  0.133002D+01 -0.395268D+01 -0.121667D+01
      2   0.136712D+02  0.190183D+01  0.727470D+00  0.493893D+00  0.106765D+02
      3   0.216805D+01 -0.673480D+01  0.190582D+02 -0.395277D+02 -0.215374D+01
               211           212           213           214           215 
      1  -0.337049D+00  0.929726D-01 -0.691199D+01  0.363901D+01 -0.317322D+00
      2   0.707766D+00 -0.547461D+00  0.772614D+01 -0.436486D+01 -0.500972D+01
      3  -0.200947D+01  0.348558D+01  0.689920D+00 -0.199345D+01  0.337223D+01
               216           217           218           219           220 
      1  -0.343806D+00 -0.194336D+01  0.657091D+00 -0.338834D+01  0.423003D+00
      2  -0.666660D+00  0.194148D+01 -0.239261D+01  0.122633D+02 -0.314187D+01
      3   0.186485D+01 -0.360698D+02 -0.140097D+02  0.587042D+01 -0.103610D+01
               221           222           223           224           225 
      1   0.126891D+01  0.960608D+01  0.116554D+02  0.120573D+02  0.160448D+01
      2   0.100009D+01 -0.324297D+02 -0.379964D+01 -0.230137D+02 -0.255800D+01
      3   0.181899D+02 -0.146029D+01  0.477964D+01 -0.606994D+00  0.304796D+02
               226           227           228           229           230 
      1   0.245610D+00  0.260926D+00 -0.134868D+01 -0.126227D+00 -0.246342D+00
      2   0.156683D-01  0.110484D+00  0.194152D+00 -0.163355D+00 -0.425086D+00
      3   0.692833D+01  0.668495D+01 -0.375348D+00  0.487063D+01  0.228547D+02
               231           232           233           234           235 
      1  -0.476155D+01  0.728015D+00  0.193930D+01 -0.146090D+00 -0.978497D+00
      2  -0.542699D+00  0.526555D+00  0.717849D-01 -0.965100D-01 -0.155597D+01
      3   0.356941D+00 -0.543359D+00 -0.226312D+00 -0.488042D+00 -0.249556D+00
               236           237           238           239           240 
      1   0.263528D+00  0.254988D+01  0.292093D+00 -0.111228D+00 -0.302499D+01
      2   0.999207D+00  0.370094D+01  0.109731D+01 -0.132175D+01 -0.410049D+01
      3  -0.651967D+01 -0.752613D-01 -0.682798D+01  0.128013D+02  0.925669D+00
               241           242           243           244           245 
      1  -0.243607D+01  0.686622D+00  0.351210D-02  0.347026D+00  0.321299D+00
      2  -0.247301D+01 -0.145395D+01 -0.232906D+00 -0.384145D+00 -0.568976D+00
      3   0.222394D+00  0.713857D+00  0.183965D+01 -0.889535D+00 -0.128018D+01
               246           247           248           249           250 
      1  -0.607379D+00  0.454155D+00  0.226639D+00 -0.304199D+01 -0.175748D+00
      2   0.285085D+00 -0.562035D+00 -0.352532D+00  0.188320D+01 -0.120101D+01
      3   0.995674D-01 -0.680953D+00 -0.160703D+02 -0.128242D+00  0.108023D+00
               251           252           253           254           255 
      1   0.141004D+01  0.396865D-01 -0.594253D+00  0.262139D+00  0.200247D+01
      2  -0.129366D+01  0.802432D-01  0.557977D+01  0.268011D+00 -0.436832D+01
      3  -0.408408D+00  0.424540D+00  0.407612D+00  0.537508D+01  0.183145D+01
               256           257           258           259           260 
      1  -0.133737D+01 -0.309249D+01 -0.523922D+01 -0.428866D+01 -0.304763D+01
      2   0.573161D+01  0.103476D+02  0.131709D+02  0.704482D+01  0.148374D+02
      3  -0.597126D+01 -0.188836D+02 -0.120322D+02 -0.756854D+01 -0.164258D+02
               261           262           263           264           265 
      1  -0.961344D+01  0.111278D+01 -0.460580D+00 -0.150606D+01 -0.260152D+00
      2   0.259776D+02 -0.254032D+01 -0.109693D+00  0.880497D+01  0.288813D+00
      3  -0.185277D+02  0.116817D+02 -0.819579D+01 -0.101758D+01 -0.536723D+01
               266           267           268           269           270 
      1   0.202914D+00 -0.906165D+00 -0.214476D+01 -0.364730D+00  0.210762D+00
      2  -0.372177D+00  0.716549D+00  0.707212D+01  0.243778D+01 -0.154136D+01
      3   0.251813D+01  0.644072D+00 -0.985190D+00  0.894575D+00 -0.193359D+01
               271           272           273           274           275 
      1   0.229812D+00  0.205767D-01  0.291311D+01  0.495896D+00  0.132391D+01
      2  -0.519864D+01  0.264210D+01 -0.740090D+01 -0.374782D+01 -0.114679D+02
      3   0.556944D+00  0.846026D+01 -0.556175D+01 -0.431398D+01 -0.209894D+02
               276           277           278           279 
      1  -0.439070D+01 -0.275420D+01 -0.168774D+01  0.741984D+01
      2   0.143507D+02  0.464175D+01  0.154606D+02 -0.245173D+02
      3   0.140481D+02  0.470619D+01  0.162579D+02 -0.199802D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.653899D+02  0.196433D+02  0.475269D+01 -0.863525D+02 -0.164728D+01
      2   0.269752D+02 -0.117373D+02 -0.249555D+01  0.346973D+02  0.132846D+02
      3   0.384147D+02 -0.790603D+01 -0.225714D+01  0.516552D+02 -0.116374D+02
      4  -0.118820D+02  0.162006D+02  0.131433D+01  0.114612D+02 -0.229543D+02
      5   0.117598D+01 -0.109259D+01 -0.126302D+01 -0.311092D+01  0.153195D+01
      6   0.701510D+00 -0.145167D+01  0.131865D+00  0.196065D+01 -0.166761D+01
                 6             7             8             9            10 
      1   0.700759D+01  0.506940D+01 -0.119099D+01 -0.975836D+01  0.770450D+02
      2  -0.251570D+01 -0.265948D+01  0.154357D+01 -0.132110D+01 -0.220150D+02
      3  -0.449190D+01 -0.240992D+01 -0.352581D+00  0.110795D+02 -0.550301D+02
      4  -0.142901D+01  0.837682D+00 -0.144895D+01 -0.188188D+01  0.317561D+02
      5   0.313425D+01  0.679748D+00 -0.476100D+00  0.154810D+01 -0.922456D+00
      6  -0.229028D+00  0.319022D+01  0.398513D+01 -0.895868D+00 -0.298111D+01
                11            12            13            14            15 
      1   0.157130D+02 -0.698395D+01  0.910508D+02 -0.201467D+02 -0.724069D+01
      2  -0.123801D+02  0.148176D+01 -0.328763D+02  0.127318D+02  0.295622D+01
      3  -0.333292D+01  0.550219D+01 -0.581745D+02  0.741492D+01  0.428447D+01
      4   0.119623D+02 -0.137616D+01 -0.259803D+02  0.204402D+02  0.203193D+01
      5  -0.983876D+00 -0.986250D+01  0.213760D+01 -0.517075D+00 -0.131264D+01
      6   0.435070D+00 -0.160456D+00 -0.242303D+00  0.190569D+01 -0.108649D+01
                16            17            18            19            20 
      1  -0.506351D+01 -0.151764D+01 -0.512068D+01  0.445740D+02 -0.262474D+02
      2   0.258663D+00  0.990893D+00 -0.369762D+01 -0.999651D+01  0.145839D+02
      3   0.480484D+01  0.526744D+00  0.881830D+01 -0.345775D+02  0.116635D+02
      4  -0.270706D+01 -0.409179D+00  0.371722D+01  0.504837D+00 -0.232290D+02
      5   0.249424D+01  0.195969D+01  0.232573D+01  0.554628D+00  0.142313D+01
      6   0.195807D+01  0.269293D+01  0.791790D-01 -0.135995D+01  0.504580D+01
                21            22            23            24            25 
      1  -0.792311D+01  0.108243D+02  0.198655D+02  0.345809D+01 -0.493340D+01
      2   0.365573D+01 -0.261495D+02 -0.251499D+02 -0.443155D+00  0.271161D+00
      3   0.426738D+01  0.153252D+02  0.528445D+01 -0.301493D+01  0.466224D+01
      4  -0.919883D-01  0.886695D+01 -0.121742D+01 -0.226886D+00  0.199907D+01
      5  -0.445420D+01 -0.604106D+00 -0.114764D-01  0.876031D+01  0.121097D+02
      6  -0.376895D+00  0.712336D+00 -0.195384D+01  0.594882D+01  0.371463D+01
                26            27            28            29            30 
      1   0.781321D+01 -0.123051D+02  0.166616D+02 -0.709519D+01  0.482337D+01
      2  -0.280548D+01  0.596793D+00 -0.392798D+02  0.641069D+01 -0.106835D+01
      3  -0.500773D+01  0.117083D+02  0.226181D+02  0.684500D+00 -0.375502D+01
      4   0.178778D+01  0.669956D+01 -0.220374D+01  0.138986D+02  0.454997D+00
      5   0.891734D+01  0.287072D+01 -0.657282D+01  0.204569D+01  0.111402D+02
      6   0.133711D+02 -0.240670D+01  0.123195D+01 -0.256068D+01  0.227866D+01
                31            32            33            34            35 
      1   0.438000D+02 -0.462545D+02 -0.163769D+01  0.676449D+01 -0.223562D+01
      2  -0.298257D+02  0.399798D+02  0.193037D+01 -0.507873D+00  0.109760D+01
      3  -0.139743D+02  0.627464D+01 -0.292676D+00 -0.625662D+01  0.113803D+01
      4  -0.288616D+02 -0.155855D+02  0.216285D+00 -0.266041D+01 -0.372988D+00
      5  -0.240554D+01  0.171884D+01 -0.299513D+01  0.340938D+02 -0.353941D+01
      6   0.714567D+00  0.479190D+01 -0.381778D+01  0.446440D+01  0.311233D+01
                36            37            38            39            40 
      1   0.557237D+00 -0.210809D+02  0.533649D+02  0.395216D+01 -0.400146D+02
      2  -0.124686D+02  0.122106D+02 -0.361692D+02 -0.136662D+01  0.421101D+02
      3   0.119114D+02  0.887026D+01 -0.171958D+02 -0.258554D+01 -0.209548D+01
      4  -0.107711D+00  0.268209D+02  0.261851D+01 -0.274138D+01  0.167733D+02
      5  -0.178316D+01  0.451167D+00 -0.462834D+01  0.316950D+01  0.270618D+01
      6  -0.862042D+00 -0.358322D+01 -0.409225D+01 -0.669675D+01 -0.822387D+00
                41            42            43            44            45 
      1   0.253875D+02  0.817822D+00  0.249443D+01 -0.681445D+01 -0.121270D+02
      2  -0.242983D+02 -0.246456D+01  0.318509D+01  0.186098D+01 -0.648798D+00
      3  -0.108921D+01  0.164673D+01 -0.567952D+01  0.495347D+01  0.127758D+02
      4   0.242905D+02  0.528112D+00 -0.405291D+01  0.146068D+01 -0.700176D+01
      5  -0.957064D+00 -0.790012D+01  0.136389D+02 -0.747455D+01 -0.222181D+01
      6  -0.374583D+01  0.218027D+01 -0.181344D+02  0.886350D+01  0.494677D+01
                46            47            48            49            50 
      1   0.253475D+02 -0.419495D+02 -0.553391D+01  0.162934D+02  0.705450D+01
      2  -0.201896D+02  0.270222D+02  0.213902D+01 -0.123765D+02 -0.168574D+02
      3  -0.515792D+01  0.149273D+02  0.339490D+01 -0.391683D+01  0.980291D+01
      4  -0.311166D+02 -0.121246D+02  0.212582D+01  0.174325D+02 -0.103648D+02
      5   0.321914D+01  0.210348D+01  0.118981D+01  0.199650D+00 -0.817205D+00
      6   0.218034D+01  0.603363D+01  0.571284D+01 -0.175111D+01 -0.197161D+00
                51            52            53            54            55 
      1  -0.985130D+00 -0.415126D+01  0.337658D+01 -0.204573D+02 -0.178513D+02
      2  -0.405527D+00  0.250225D+01 -0.508148D+01  0.897408D+01  0.251310D+01
      3   0.139066D+01  0.164901D+01  0.170490D+01  0.114832D+02  0.153382D+02
      4  -0.133204D+01  0.325869D+01  0.293509D+01  0.215390D+01  0.237221D+02
      5   0.376008D+00  0.343572D+01  0.547187D+00  0.246134D+01 -0.324211D+01
      6   0.635973D+01  0.333226D+01  0.197168D+02  0.969935D+00  0.843662D+00
                56            57            58            59            60 
      1  -0.292646D+02 -0.210842D+01  0.613838D+00  0.165890D+02  0.735427D+00
      2   0.279870D+02  0.148620D+01 -0.589054D+01 -0.212991D+02 -0.286854D+00
      3   0.127754D+01  0.622220D+00  0.527670D+01  0.471019D+01 -0.448572D+00
      4  -0.561261D+02 -0.300887D+01  0.139383D+02 -0.103780D+02 -0.168154D+00
      5   0.996363D+00 -0.637888D+01  0.947079D+00 -0.319093D+00 -0.470404D+01
      6   0.301768D+01  0.736701D+01 -0.544831D+00 -0.390748D+00  0.704372D+01
                61            62            63            64            65 
      1  -0.694188D+00  0.243868D+01 -0.274840D+02 -0.143066D+01 -0.380901D+01
      2   0.105705D+01 -0.320889D+01  0.150175D+02  0.559476D+01  0.629274D+01
      3  -0.362864D+00  0.770209D+00  0.124665D+02 -0.416410D+01 -0.248373D+01
      4  -0.246649D+01  0.737675D+01 -0.105647D+02  0.861893D+01  0.117771D+02
      5  -0.223413D+01 -0.154780D+02  0.313347D+01 -0.860426D+00 -0.656493D+00
      6   0.319756D+01  0.247831D+02 -0.150148D+01 -0.126640D+01 -0.147285D+01
                66            67            68            69            70 
      1   0.914493D-01 -0.843042D+01 -0.309826D+02  0.120540D+01 -0.982024D+00
      2  -0.563877D-01  0.130038D+02  0.406787D+02 -0.873733D+00  0.637500D+00
      3  -0.350615D-01 -0.457341D+01 -0.969617D+01 -0.331662D+00  0.344524D+00
      4  -0.452295D+00  0.130694D+02  0.221443D+02 -0.561758D+00 -0.284978D+00
      5   0.132619D+01 -0.666179D+00  0.233111D+00  0.213811D+01 -0.285930D+00
      6   0.130868D+01 -0.182175D+01 -0.483456D+01  0.579111D+01  0.148494D+01
                71            72            73            74            75 
      1  -0.150252D+00 -0.290720D+01  0.676137D+01  0.161506D+01  0.900853D-02
      2   0.133976D+00  0.356683D+01  0.134771D+01 -0.767828D+01  0.139667D+00
      3   0.162762D-01 -0.659633D+00 -0.810908D+01  0.606322D+01 -0.148676D+00
      4  -0.493118D+00  0.988916D+00 -0.219588D+02  0.178685D+02  0.166477D+01
      5   0.163371D+00 -0.375664D+00 -0.494960D+01  0.211226D+01  0.422204D+01
      6   0.272295D+01 -0.368920D+00  0.312673D+01 -0.245115D+01 -0.244929D+01
                76            77            78            79            80 
      1   0.529103D+01 -0.130752D+02 -0.155963D+01 -0.127546D+01 -0.336820D+00
      2  -0.136135D+02  0.224286D+02  0.125546D+01  0.100716D+00  0.591338D+00
      3   0.832252D+01 -0.935346D+01  0.304170D+00  0.117475D+01 -0.254519D+00
      4   0.239006D+02 -0.258936D+02 -0.221659D+01  0.182027D+01 -0.126320D+01
      5   0.296412D+01 -0.248259D+01 -0.353944D+01  0.169650D+00 -0.141122D+01
      6  -0.386325D+01  0.483953D+01  0.484186D+01  0.785120D+00  0.224322D+01
                81            82            83            84            85 
      1   0.365602D-01 -0.432108D+01 -0.773555D+01  0.324301D+00 -0.552147D+01
      2   0.981757D+00  0.671349D+01  0.111489D+02 -0.252644D+00  0.709994D+01
      3  -0.101832D+01 -0.239242D+01 -0.341336D+01 -0.716570D-01 -0.157847D+01
      4  -0.246581D+01  0.451607D+01  0.124540D+02  0.254871D+00  0.726684D+01
      5  -0.364598D+00  0.864603D+00  0.123621D+01  0.187330D+01  0.697867D+00
      6   0.412392D+00  0.664328D+00  0.408791D+00  0.156965D+01  0.792443D+00
                86            87            88            89            90 
      1  -0.474553D+02 -0.101954D+01  0.899211D+00 -0.885982D-01 -0.210839D+01
      2   0.622914D+02  0.661152D+00 -0.655585D+00 -0.458221D-03  0.248918D+01
      3  -0.148361D+02  0.358390D+00 -0.243626D+00  0.890564D-01 -0.380787D+00
      4   0.149180D+02  0.399761D+00 -0.126619D+00 -0.713124D+00  0.205965D+01
      5   0.293141D+01  0.120136D+01  0.927183D+00  0.169161D+01 -0.113386D-01
      6   0.464190D+01  0.690661D+01 -0.466290D-02  0.378138D+01  0.181294D+00
                91            92            93            94            95 
      1  -0.168764D+02  0.718043D+01 -0.110624D+02  0.944481D+01  0.106175D+02
      2   0.258844D+02 -0.795523D+01 -0.721296D+00 -0.135896D+02 -0.186579D+02
      3  -0.900792D+01  0.774798D+00  0.117837D+02  0.414478D+01  0.804048D+01
      4   0.855903D+01 -0.183721D+01 -0.706836D+00 -0.397271D+01 -0.423447D+02
      5  -0.884041D+00 -0.210353D+01 -0.240932D+02 -0.142771D+02  0.773741D-01
      6  -0.194058D+01  0.231230D+01  0.653831D+00 -0.160530D+00  0.613221D+01
                96            97            98            99           100 
      1  -0.672389D+01 -0.844461D+01 -0.165905D+00 -0.265131D+02 -0.728777D+02
      2   0.944893D+01 -0.301218D+01  0.246256D+00  0.212780D+02  0.397613D+02
      3  -0.272504D+01  0.114568D+02 -0.803518D-01  0.523512D+01  0.331165D+02
      4  -0.151886D+00 -0.227763D+01 -0.173440D+01  0.766392D+01 -0.247929D+02
      5   0.699771D+01 -0.657026D+02  0.889321D+01  0.579742D+01  0.378760D+02
      6   0.149324D+01  0.206423D+01  0.627849D+00 -0.342233D+01  0.110634D+02
               101           102           103           104           105 
      1  -0.181996D+02  0.320162D+02 -0.313493D+02  0.110465D+02 -0.591223D+01
      2   0.727542D+01 -0.318369D+01  0.229882D+02 -0.724358D+01 -0.104304D+02
      3   0.109242D+02 -0.288325D+02  0.836113D+01 -0.380293D+01  0.163426D+02
      4   0.516231D+01  0.115074D-01  0.187148D+01  0.378247D+02  0.105588D+02
      5   0.400139D+01  0.173659D+02  0.166768D+02  0.698061D+01 -0.173918D+02
      6  -0.340007D+01  0.212138D+01 -0.147462D+01 -0.181915D+02 -0.656711D+01
               106           107           108           109           110 
      1   0.207308D+01 -0.754412D+01  0.348929D+02 -0.100007D+03  0.203779D+02
      2   0.175307D+02 -0.505725D+01 -0.152322D+02  0.425656D+02 -0.333141D+01
      3  -0.196038D+02  0.126014D+02 -0.196607D+02  0.574416D+02 -0.170465D+02
      4   0.204301D+01  0.643440D+01 -0.153140D+02  0.335973D+02 -0.222634D+02
      5   0.446778D+02 -0.138729D+02 -0.177080D+02 -0.168680D+02  0.775095D+01
      6  -0.205925D+01 -0.346637D+01  0.140781D+02  0.620480D+01 -0.121798D+01
               111           112           113           114           115 
      1  -0.813035D+01  0.338456D+02 -0.140840D+02  0.372899D+01  0.357209D+02
      2   0.352974D+01 -0.886313D+01  0.971307D+01 -0.253583D+01 -0.250902D+02
      3   0.460061D+01 -0.249824D+02  0.437091D+01 -0.119316D+01 -0.106306D+02
      4   0.473663D+01 -0.521171D+01  0.220269D+02  0.902732D+00 -0.285425D+01
      5  -0.488973D+01  0.141279D+02 -0.107933D+01  0.338556D+01  0.330118D+02
      6   0.346910D+01 -0.182597D+01  0.306186D+01  0.931455D+00 -0.429002D+01
               116           117           118           119           120 
      1   0.324073D+00  0.304121D+02 -0.417802D+01  0.663468D+01  0.146856D+01
      2   0.142819D+01 -0.763745D+01  0.777951D+01 -0.143356D+01 -0.638996D+00
      3  -0.175226D+01 -0.227746D+02 -0.360149D+01 -0.520112D+01 -0.829560D+00
      4   0.332392D+01 -0.665063D+01  0.123790D+02  0.107999D+02 -0.967793D+00
      5  -0.655745D+01  0.685822D+01  0.456328D+00 -0.134644D+01  0.761999D+01
      6  -0.351518D+01 -0.337543D+01 -0.139590D+01 -0.100771D+01  0.133766D+00
               121           122           123           124           125 
      1   0.102125D+02 -0.131126D+02  0.312803D+01  0.331586D+01 -0.230296D+00
      2   0.931159D-01  0.275394D+02 -0.181528D+01 -0.184947D+01  0.179331D+01
      3  -0.103057D+02 -0.144268D+02 -0.131275D+01 -0.146639D+01 -0.156301D+01
      4   0.189420D+02  0.499029D+02 -0.245922D+01 -0.970074D-01  0.215703D+00
      5  -0.637105D+00 -0.223970D+01  0.106101D+02  0.960862D+01  0.553689D+01
      6  -0.172073D+01 -0.672603D+01  0.448369D+01  0.171486D+01  0.561466D+01
               126           127           128           129           130 
      1   0.851207D+00  0.114694D+03  0.112370D+02 -0.205660D+02  0.210757D+02
      2  -0.145623D+00 -0.686316D+02 -0.537101D+01  0.177244D+02 -0.117888D+02
      3  -0.705584D+00 -0.460622D+02 -0.586603D+01  0.284156D+01 -0.928695D+01
      4   0.592769D+01  0.176941D+02  0.138936D+02 -0.328224D+01  0.192472D+02
      5  -0.202514D+01 -0.629547D+02 -0.511322D+01  0.282865D+02 -0.137171D+02
      6  -0.731261D+00 -0.738214D+01 -0.526341D+01  0.157377D+01 -0.681853D+01
               131           132           133           134           135 
      1   0.998542D+01 -0.239823D+01 -0.670657D+01  0.603052D+00  0.701578D+01
      2  -0.428390D+01  0.428283D+01  0.718632D+01  0.134631D+01 -0.697741D+01
      3  -0.570152D+01 -0.188461D+01 -0.479748D+00 -0.194936D+01 -0.383728D-01
      4   0.351859D+01 -0.536217D+01 -0.983449D+00 -0.190834D+01  0.375627D+01
      5  -0.709698D+01  0.826892D+01  0.160605D+02  0.351498D+01 -0.733884D+01
      6  -0.715039D+00  0.350683D+01  0.155697D+01  0.150114D+01 -0.206504D+01
               136           137           138           139           140 
      1  -0.431102D+01  0.716087D+01 -0.218882D+02  0.792745D+01 -0.102138D+02
      2  -0.141582D+01 -0.155018D+01 -0.146980D+01 -0.500290D+01  0.186079D+01
      3   0.572684D+01 -0.561069D+01  0.233580D+02 -0.292455D+01  0.835305D+01
      4   0.372015D+01 -0.377067D+01  0.282703D+01  0.136752D+01  0.440212D+01
      5  -0.187046D+01  0.124407D+00 -0.109358D+02 -0.590830D+01 -0.791065D+01
      6  -0.324349D+01  0.448089D+01 -0.439622D+01  0.339778D-01 -0.614810D+01
               141           142           143           144           145 
      1   0.123016D+02 -0.843480D+01  0.822038D+01 -0.375134D+02  0.718250D+01
      2   0.350572D+01  0.242307D+01  0.231124D+01 -0.124430D+02 -0.205751D+01
      3  -0.158073D+02  0.601173D+01 -0.105316D+02  0.499564D+02 -0.512498D+01
      4  -0.107777D+02 -0.761710D+00 -0.836974D+01  0.116652D+02 -0.503251D+01
      5   0.161493D+02  0.469508D+01  0.871758D+01 -0.365705D+02 -0.423337D+01
      6   0.119117D+02 -0.856116D-01  0.897143D+01 -0.122994D+02  0.236860D+01
               146           147           148           149           150 
      1  -0.524326D+01 -0.544210D+01 -0.110511D+02 -0.998218D+01 -0.289382D+01
      2   0.271521D+01  0.533461D+00  0.681109D+01  0.133725D+02 -0.235645D+01
      3   0.252805D+01  0.490864D+01  0.423997D+01 -0.339034D+01  0.525027D+01
      4   0.332941D+01  0.905942D+00  0.112475D+02 -0.471146D+02 -0.132240D+02
      5   0.250147D+01 -0.120824D+01  0.122714D+02 -0.122205D+02 -0.153603D+02
      6  -0.751347D-01  0.361638D-01 -0.444789D+01  0.260638D+02  0.109709D+02
               151           152           153           154           155 
      1  -0.498132D+00 -0.227516D+01 -0.683395D+01  0.195990D+03 -0.309803D+02
      2  -0.528005D+00 -0.442255D+00  0.112970D+01 -0.919959D+02  0.982731D+01
      3   0.102614D+01  0.271742D+01  0.570425D+01 -0.103994D+03  0.211530D+02
      4   0.171389D+01 -0.552454D+01 -0.574839D+01 -0.433646D+02  0.395830D+02
      5   0.428849D+00 -0.568710D+01 -0.354003D+01  0.346624D+02 -0.697097D+01
      6  -0.146115D+01  0.752436D+01  0.368479D+01 -0.529760D+01  0.446150D+01
               156           157           158           159           160 
      1   0.744742D+01 -0.427033D+02  0.352691D+02 -0.141743D+01  0.635365D+01
      2  -0.871149D+01  0.143644D+02 -0.949747D+01  0.217980D+01 -0.728682D+01
      3   0.126408D+01  0.283389D+02 -0.257717D+02 -0.762372D+00  0.933175D+00
      4  -0.327699D+01  0.550091D+02 -0.384227D+02  0.278028D+01 -0.280872D+01
      5   0.377002D+02 -0.106124D+02  0.776813D+01 -0.128513D+02  0.340540D+02
      6  -0.204867D+01  0.945485D+01 -0.655387D+01  0.563750D+01 -0.421780D+01
               161           162           163           164           165 
      1  -0.631696D+00  0.183464D+02  0.582844D+02 -0.103207D+02  0.159278D+02
      2   0.101471D+01 -0.127184D+02 -0.416185D+02  0.420143D+01 -0.113265D+02
      3  -0.383011D+00 -0.562799D+01 -0.166660D+02  0.611931D+01 -0.460128D+01
      4   0.738544D+00 -0.740373D+01 -0.107725D+02  0.844575D+01  0.148238D+01
      5  -0.844679D+01  0.436838D+01  0.383679D+02 -0.834583D+00  0.205947D+02
      6   0.504678D+01 -0.174476D+01 -0.354085D+01  0.170531D+01  0.115354D+01
               166           167           168           169           170 
      1  -0.198429D+02 -0.557634D+01  0.129695D+00 -0.843384D+01  0.821019D+00
      2   0.112740D+02  0.900722D+00  0.114762D+01  0.949996D+00 -0.123693D+01
      3   0.856893D+01  0.467562D+01 -0.127732D+01  0.748384D+01  0.415908D+00
      4   0.757475D+01  0.916658D+00  0.113367D+02  0.537898D+01  0.481318D+01
      5  -0.917701D+01  0.115627D+02 -0.368089D+01  0.149263D+02  0.409731D+01
      6   0.193018D+01  0.510853D+00  0.118124D+02  0.312687D+01  0.107749D+02
               171           172           173           174           175 
      1  -0.351029D+02 -0.516545D+02  0.816906D+01  0.685669D+01  0.156148D+02
      2  -0.135157D+02  0.334279D+02 -0.384855D+01  0.642321D+01 -0.106407D+02
      3   0.486186D+02  0.182266D+02 -0.432051D+01 -0.132799D+02 -0.497406D+01
      4   0.673320D+01  0.753423D+01 -0.493174D+01 -0.140418D+01 -0.105857D+01
      5   0.459296D+02 -0.289164D+02  0.113474D+01 -0.175182D+02  0.791047D+01
      6   0.430044D+01  0.286569D+01 -0.397533D+01 -0.226943D+01 -0.769137D+00
               176           177           178           179           180 
      1  -0.721942D+01 -0.220484D+01 -0.106165D+02  0.252710D+00 -0.109439D+02
      2   0.408626D+01 -0.143455D+01  0.136142D+02 -0.702805D+00  0.553276D+01
      3   0.313317D+01  0.363939D+01 -0.299770D+01  0.450095D+00  0.541111D+01
      4   0.276098D+01  0.370875D+01  0.248710D+01 -0.887825D-01  0.137429D+01
      5   0.221017D+01  0.591687D+01 -0.136217D+02  0.105290D+01 -0.301682D+01
      6   0.280968D+01  0.417188D+01 -0.104187D+01  0.133052D+01  0.103700D+01
               181           182           183           184           185 
      1   0.307536D+02  0.488627D+02  0.354946D+00 -0.417295D+02  0.133485D+02
      2  -0.149861D+02 -0.409343D+02 -0.150631D+00  0.328850D+02 -0.196716D+02
      3  -0.157674D+02 -0.792840D+01 -0.204316D+00  0.884454D+01  0.632311D+01
      4   0.224412D+01  0.376978D+02 -0.283031D+01 -0.396926D+01  0.355330D+02
      5   0.553253D+01 -0.568430D+01  0.116345D+02  0.244239D+00  0.179443D+01
      6  -0.407254D+01  0.216831D+01 -0.790744D+01  0.134377D+01 -0.173711D+01
               186           187           188           189           190 
      1   0.212945D+01  0.131875D+01 -0.654739D+01  0.607654D+01  0.109768D+03
      2  -0.220501D+01  0.124595D+01  0.342950D+01 -0.782484D+01 -0.533355D+02
      3   0.755588D-01 -0.256470D+01  0.311789D+01  0.174831D+01 -0.564321D+02
      4   0.180954D+01 -0.532644D+01 -0.185791D+00 -0.248012D+02  0.885208D+01
      5  -0.629505D+01  0.363724D+02 -0.203783D+02 -0.362183D+01  0.325944D+01
      6   0.283325D+01 -0.246592D+02  0.138732D+02  0.359774D+01 -0.164453D+01
               191           192           193           194           195 
      1  -0.288212D+00 -0.595419D+01 -0.409858D+02 -0.383218D+02  0.133018D+01
      2  -0.115387D+02  0.106650D+01  0.744031D+01  0.421247D+02  0.918618D+00
      3   0.118270D+02  0.488770D+01  0.335455D+02 -0.380286D+01 -0.224880D+01
      4   0.220585D+02 -0.215021D+00 -0.410368D+02 -0.611741D+02  0.181396D+01
      5   0.626722D+00  0.105479D+01 -0.101782D+01  0.410441D+00 -0.252315D+01
      6   0.100007D+01 -0.277072D+01  0.302881D+01  0.664427D+00 -0.532654D+01
               196           197           198           199           200 
      1  -0.172626D+01 -0.210095D+01  0.244336D+02 -0.110461D+03 -0.209321D+02
      2   0.903794D+00  0.251111D+01 -0.216898D+02  0.379765D+02  0.222135D+02
      3   0.822463D+00 -0.410160D+00 -0.274376D+01  0.724847D+02 -0.128142D+01
      4  -0.309305D+01 -0.285237D+01 -0.987012D-01 -0.323024D+02 -0.317833D+02
      5   0.509119D+02 -0.504190D+01 -0.369456D+01  0.255431D+01  0.311671D+01
      6  -0.134363D+01  0.296868D+01 -0.388605D+00  0.412196D+01  0.778580D+00
               201           202           203           204           205 
      1   0.660931D+01  0.806566D+02  0.179231D+02 -0.408905D+01  0.996681D+01
      2  -0.252630D+01 -0.470625D+02 -0.251953D+02  0.205631D+01 -0.445184D+01
      3  -0.408301D+01 -0.335941D+02  0.727220D+01  0.203274D+01 -0.551497D+01
      4   0.329985D+01  0.286739D+02  0.209375D+02 -0.189219D+01  0.529960D+01
      5   0.574695D+01 -0.163451D+01 -0.689074D+00  0.102394D+02  0.144717D+01
      6   0.568629D+00 -0.209195D+01 -0.675264D+00  0.660277D+01  0.296335D+01
               206           207           208           209           210 
      1   0.507075D+01 -0.167898D+02  0.414384D+02 -0.666983D+01 -0.469973D+00
      2  -0.400460D+01 -0.759758D+00 -0.265037D+02  0.642913D+01  0.217943D+01
      3  -0.106615D+01  0.175495D+02 -0.149346D+02  0.240692D+00 -0.170946D+01
      4   0.311060D+01  0.178617D+02 -0.145961D+02  0.849697D+01  0.435658D+00
      5   0.224260D+02  0.333036D+01 -0.441658D+01 -0.446989D-01  0.212396D+02
      6   0.107559D+02 -0.195516D+00  0.879152D+00 -0.134275D+01  0.312281D+01
               211           212           213           214           215 
      1  -0.119163D+02  0.780166D+01  0.310066D+01 -0.996905D+00 -0.140308D+00
      2   0.789522D+01 -0.448544D+01 -0.145183D+01  0.194488D+01 -0.616602D+00
      3   0.402110D+01 -0.331622D+01 -0.164883D+01 -0.947973D+00  0.756910D+00
      4   0.336662D+02 -0.152604D+02 -0.195134D+01  0.101369D+01 -0.446801D+00
      5   0.250731D+01 -0.453257D+00  0.149185D+02  0.140871D+02 -0.544353D+01
      6  -0.686981D+00  0.200107D+00  0.120920D+02 -0.147723D+01  0.390613D+01
               216           217           218           219           220 
      1   0.509717D+01 -0.867711D+02 -0.530629D+00  0.123479D+02  0.132146D+02
      2  -0.390980D+01  0.496322D+02  0.401593D+01 -0.678171D+01 -0.394370D+01
      3  -0.118738D+01  0.371390D+02 -0.348530D+01 -0.556621D+01 -0.927092D+01
      4  -0.654052D+01  0.611159D+01  0.262609D+02 -0.297943D+01 -0.723205D+01
      5  -0.323653D+01  0.110709D+02 -0.326240D+01  0.182395D+02 -0.620145D+01
      6   0.512134D+00  0.322054D+00 -0.260628D+01  0.764154D+01 -0.181203D+01
               221           222           223           224           225 
      1   0.152077D+02 -0.100269D+02  0.895790D+01 -0.624255D+01  0.231442D+02
      2  -0.742162D+01  0.329540D+01 -0.526998D+01  0.207727D+01 -0.181269D+02
      3  -0.778609D+01  0.673154D+01 -0.368793D+01  0.416529D+01 -0.501726D+01
      4   0.123763D+01  0.314420D+00 -0.485106D+01 -0.222836D+01 -0.394956D+02
      5  -0.384469D-01 -0.627632D+02 -0.898298D+01 -0.423218D+02 -0.732206D+01
      6   0.130059D+01 -0.262617D+02 -0.970299D+01 -0.200201D+02  0.194693D+00
               226           227           228           229           230 
      1  -0.638006D+01 -0.153713D+02  0.423691D+00 -0.445975D+01 -0.574695D+02
      2   0.792840D+01  0.168716D+02 -0.238955D+00  0.444679D+01  0.758291D+02
      3  -0.154834D+01 -0.150025D+01 -0.184736D+00  0.129568D-01 -0.183596D+02
      4   0.541717D+00  0.521177D+01  0.234514D+00  0.352319D+01 -0.225456D+02
      5   0.373858D+00  0.656120D+00  0.912743D+00  0.611805D-01  0.209900D+01
      6  -0.289149D+00 -0.822222D+00  0.186061D+01  0.163742D+00 -0.100756D+01
               231           232           233           234           235 
      1  -0.619483D+00  0.703942D+00  0.114648D+00 -0.144698D+01  0.373178D+02
      2   0.731737D+00 -0.477387D+00  0.193706D+00  0.220342D+01 -0.721213D+01
      3  -0.112254D+00 -0.226555D+00 -0.308355D+00 -0.756439D+00 -0.301057D+02
      4  -0.195007D-02 -0.182288D-01 -0.671343D+00  0.749717D+00 -0.539578D+02
      5  -0.202835D+01  0.220292D+01  0.270525D+00 -0.190487D+00 -0.358366D+01
      6   0.758908D+01 -0.613060D+00  0.383672D+01  0.585020D-01  0.279325D+01
               236           237           238           239           240 
      1  -0.195732D+02 -0.254657D+01 -0.178745D+02  0.901127D+01  0.795627D+00
      2  -0.160309D+01  0.661198D+00 -0.810066D+01  0.166135D+02  0.914412D+00
      3   0.211763D+02  0.188537D+01  0.259751D+02 -0.256248D+02 -0.171004D+01
      4   0.429003D+02  0.441098D+01  0.512350D+02 -0.564916D+02 -0.454316D+01
      5   0.225840D+01  0.683175D+01  0.231122D+01 -0.205997D+01 -0.662285D+01
      6  -0.207060D+01 -0.391844D+01 -0.239496D+01  0.290393D+01  0.551058D+01
               241           242           243           244           245 
      1  -0.346720D+01  0.144849D+01 -0.727083D-01  0.902530D+01  0.101504D+02
      2   0.570258D+00  0.446767D+00  0.115983D+01 -0.225288D+01 -0.317024D+01
      3   0.289695D+01 -0.189526D+01 -0.108712D+01 -0.677243D+01 -0.698013D+01
      4   0.543071D+01 -0.451269D+01 -0.446207D+01  0.161355D+02  0.135567D+02
      5   0.723170D+00 -0.330930D+01 -0.105819D+01 -0.232316D+00 -0.415025D+00
      6   0.113416D+00  0.320796D+01  0.718138D+00 -0.143622D+00 -0.403843D+00
               246           247           248           249           250 
      1  -0.453868D+00  0.991993D+01 -0.708672D+01 -0.557470D+00 -0.417530D+00
      2   0.245065D+00  0.178582D+01  0.200289D+02  0.261101D-01  0.257230D+00
      3   0.208803D+00 -0.117058D+02 -0.129422D+02  0.531360D+00  0.160300D+00
      4  -0.899222D+00  0.247669D+02  0.406810D+02 -0.583210D+00 -0.633834D+00
      5   0.105451D+01  0.162530D+00  0.146975D+01  0.371012D+01  0.539542D+00
      6   0.369001D+00 -0.300401D-01  0.159214D+00  0.420861D+01  0.168415D+01
               251           252           253           254           255 
      1  -0.112976D+01 -0.150603D+01  0.311807D+01  0.362239D+01  0.891761D+01
      2   0.651141D+00  0.215673D+01 -0.169051D+01 -0.328024D+01 -0.422695D+01
      3   0.478623D+00 -0.650701D+00 -0.142756D+01 -0.342152D+00 -0.469067D+01
      4  -0.464642D-01  0.227481D+00 -0.189284D+01 -0.422214D+01  0.191181D+01
      5  -0.698133D+00  0.410269D-01  0.687444D+01  0.375585D+00 -0.675825D+01
      6   0.159050D+01  0.526479D-01  0.224960D+01 -0.579410D+00 -0.408893D+01
               256           257           258           259           260 
      1   0.612867D+01 -0.501231D+00 -0.815919D-01  0.278845D+02  0.639029D+01
      2   0.603754D+00  0.822595D+01  0.506947D+01 -0.127093D+02  0.123268D+01
      3  -0.673242D+01 -0.772472D+01 -0.498788D+01 -0.151752D+02 -0.762298D+01
      4   0.220354D+02  0.292073D+02  0.203374D+02  0.282695D+02  0.279366D+02
      5   0.132930D+02  0.212709D+02  0.259642D+02  0.261571D+02  0.291416D+02
      6   0.598963D+01  0.104244D+02  0.128364D+02  0.109715D+02  0.143124D+02
               261           262           263           264           265 
      1  -0.440027D+01  0.204655D+03  0.137775D+02 -0.129369D+02 -0.117666D+02
      2   0.597815D+00 -0.105955D+03 -0.443005D+01  0.755442D+01  0.940063D+01
      3   0.380246D+01 -0.987001D+02 -0.934740D+01  0.538245D+01  0.236599D+01
      4   0.272586D+02  0.372503D+02  0.179977D+02 -0.228666D+01  0.172643D+02
      5   0.511522D+02 -0.154494D+02 -0.965556D+00  0.175507D+02  0.781396D+00
      6   0.186909D+02 -0.222924D+01 -0.778819D+00  0.286289D+01 -0.742067D+00
               266           267           268           269           270 
      1   0.151245D+02  0.116296D+01 -0.134498D+02 -0.410936D+00  0.147942D+02
      2  -0.747046D+01 -0.885111D+00  0.812609D+01  0.112537D+00 -0.836774D+01
      3  -0.765402D+01 -0.277850D+00  0.532373D+01  0.298399D+00 -0.642642D+01
      4  -0.598940D+00 -0.145673D+01 -0.250331D+01 -0.155878D+01  0.611351D+01
      5  -0.164849D+01  0.116452D+01  0.230099D+02  0.516951D+01 -0.415580D+01
      6  -0.140899D+00  0.194305D+01  0.331606D+01  0.292665D+01 -0.715629D+00
               271           272           273           274           275 
      1  -0.479977D+01  0.403896D+01 -0.124557D+02  0.441513D+01 -0.664368D+01
      2   0.171328D+01 -0.425240D+01  0.546234D+01  0.162471D+00  0.109244D+02
      3   0.308649D+01  0.213438D+00  0.699336D+01 -0.457760D+01 -0.428075D+01
      4  -0.618172D+01 -0.857435D+01  0.262171D+01  0.188585D+02  0.301075D+02
      5  -0.493651D+01  0.381182D+01 -0.117404D+02 -0.100304D+02 -0.215179D+02
      6  -0.124669D+01  0.372424D+01 -0.685249D+01 -0.570327D+01 -0.135516D+02
               276           277           278           279 
      1   0.688724D+01 -0.221646D+02  0.143062D+01 -0.120340D+02
      2  -0.737830D+01  0.107995D+02 -0.330529D+01  0.203307D+01
      3   0.491064D+00  0.113652D+02  0.187466D+01  0.100009D+02
      4  -0.220000D+02 -0.210450D+02 -0.253043D+02  0.275859D+02
      5   0.270331D+02  0.210333D+02  0.285401D+02 -0.451805D+02
      6   0.153321D+02  0.995562D+01  0.162713D+02 -0.203683D+02
 Leave Link  716 at Thu Aug 12 21:28:57 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.310669D+03 -0.949668D+01 -0.135994D+02
      2  -0.949668D+01  0.173312D+03  0.217342D+01
      3  -0.135994D+02  0.217342D+01  0.119651D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.354297D+01 -0.250281D+02  0.303946D+01
      2   0.486822D+02  0.527599D+00  0.346548D+02
      3   0.842215D+02  0.687165D+02 -0.279835D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.288527D+03 -0.900370D+02  0.436323D+02
      2   0.884956D+02  0.703319D+02  0.413003D+01
      3   0.200031D+03  0.197052D+02 -0.477624D+02
      4  -0.846530D+02 -0.172868D+03 -0.119038D+01
      5  -0.312007D+02 -0.284049D+01  0.824896D+02
      6  -0.358832D+01 -0.452697D+02 -0.131686D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.354012D+02 -0.188684D+01 -0.201039D+01  0.464380D+02 -0.733662D+01
      2  -0.188684D+01 -0.523945D-01  0.272862D+00 -0.733662D+01  0.858809D+01
      3  -0.201039D+01  0.272862D+00 -0.185776D+00 -0.349027D+01  0.741216D+00
                 6             7             8             9            10 
      1  -0.349027D+01 -0.128934D+01 -0.112181D+00  0.115813D+01 -0.389494D+02
      2   0.741216D+00 -0.112181D+00  0.152837D+00  0.119316D+01  0.313886D+01
      3  -0.682532D-01  0.115813D+01  0.119316D+01 -0.515949D-01  0.227473D+01
                11            12            13            14            15 
      1   0.313886D+01  0.227473D+01 -0.462145D+02  0.655118D+01  0.355106D+01
      2  -0.401315D+01 -0.224278D+00  0.655118D+01 -0.705770D+01 -0.770183D+00
      3  -0.224278D+00  0.524365D-02  0.355106D+01 -0.770183D+00  0.171235D+00
                16            17            18            19            20 
      1   0.218426D+01 -0.137906D+00 -0.119153D+01 -0.476655D+02  0.496995D+01
      2  -0.137906D+00  0.230494D+00 -0.970378D+00  0.496995D+01 -0.447304D+01
      3  -0.119153D+01 -0.970378D+00 -0.611186D-01  0.208906D+01 -0.247291D+00
                21            22            23            24            25 
      1   0.208906D+01  0.225238D+02 -0.235332D+01 -0.279647D+00  0.498903D+01
      2  -0.247291D+00 -0.235332D+01  0.311598D+01  0.297210D+00  0.180357D+00
      3  -0.695221D+00 -0.279647D+00  0.297210D+00  0.250986D+01  0.166794D+01
                26            27            28            29            30 
      1   0.180357D+00  0.166794D+01  0.558174D+02 -0.316358D+01 -0.150475D+01
      2   0.277921D+00  0.382072D+01 -0.316358D+01  0.401635D+01  0.262594D+00
      3   0.382072D+01  0.122507D-01 -0.150475D+01  0.262594D+00  0.253163D+01
                31            32            33            34            35 
      1  -0.560411D+01  0.121945D+01  0.136607D+00 -0.126101D+01  0.215194D+00
      2   0.121945D+01 -0.737719D+01 -0.654306D+00  0.215194D+00 -0.975635D+00
      3   0.136607D+00 -0.654306D+00 -0.698606D+00  0.690117D+01 -0.658177D+00
                36            37            38            39            40 
      1   0.690117D+01  0.630332D+01 -0.605650D+00 -0.275443D+00 -0.123016D+02
      2  -0.658177D+00 -0.605650D+00  0.877347D+01  0.339721D+00  0.141809D+01
      3  -0.972318D+00 -0.275443D+00  0.339721D+00  0.160618D+01  0.837849D-01
                41            42            43            44            45 
      1   0.141809D+01  0.837849D-01 -0.135661D+01 -0.116431D+00  0.431952D+01
      2   0.327202D+01  0.163707D+00 -0.116431D+00 -0.731376D+00 -0.247124D+01
      3   0.163707D+00 -0.122262D+01  0.431952D+01 -0.247124D+01 -0.129720D+01
                46            47            48            49            50 
      1  -0.850540D+01  0.126572D+01  0.978790D+00 -0.270358D+01  0.185931D+01
      2   0.126572D+01 -0.565208D+01 -0.904139D+00  0.185931D+01 -0.199952D+00
      3   0.978790D+00 -0.904139D+00 -0.131672D+01  0.190079D+00 -0.577040D-01
                51            52            53            54            55 
      1   0.190079D+00  0.593243D+00 -0.552351D+00 -0.103562D+01  0.121168D+02
      2  -0.577040D-01 -0.552351D+00  0.759411D+00 -0.402462D+01 -0.401036D+01
      3  -0.138502D+01 -0.103562D+01 -0.402462D+01 -0.571123D-01 -0.994826D+00
                56            57            58            59            60 
      1  -0.401036D+01 -0.994826D+00  0.704866D+00 -0.152944D+01  0.112139D+00
      2   0.985698D+01  0.728622D+00 -0.152944D+01 -0.221576D+00 -0.282876D-01
      3   0.728622D+00  0.144242D+01  0.112139D+00 -0.282876D-01  0.143961D+01
                61            62            63            64            65 
      1  -0.107405D+01  0.638428D+00  0.806369D+00  0.110213D+01  0.220924D+01
      2   0.638428D+00 -0.109608D+01  0.406716D+01  0.220924D+01  0.161672D+01
      3   0.806369D+00  0.406716D+01 -0.180377D+00 -0.934183D-01 -0.166130D+00
                66            67            68            69            70 
      1  -0.934183D-01  0.245303D+01  0.313444D+01 -0.161572D+00 -0.299883D+00
      2  -0.166130D+00  0.313444D+01  0.774641D+01 -0.263741D+00 -0.152406D+00
      3   0.160242D+00 -0.161572D+00 -0.263741D+00  0.751729D+00 -0.139719D+00
                71            72            73            74            75 
      1  -0.152406D+00 -0.139719D+00  0.613281D+01 -0.306808D+01 -0.649013D+00
      2  -0.478800D-01  0.168565D+00 -0.306808D+01  0.271289D+01  0.272174D+00
      3   0.168565D+00 -0.689514D-01 -0.649013D+00  0.272174D+00  0.536645D+00
                76            77            78            79            80 
      1  -0.414354D+01  0.423125D+01  0.472976D+00 -0.748928D+00  0.234836D+00
      2   0.423125D+01 -0.510563D+01 -0.474622D+00  0.234836D+00 -0.202265D+00
      3   0.472976D+00 -0.474622D+00 -0.697521D+00 -0.333287D+00 -0.238626D+00
                81            82            83            84            85 
      1  -0.333287D+00 -0.850363D+00 -0.154498D+01  0.252605D-01 -0.748984D+00
      2  -0.238626D+00 -0.154498D+01 -0.215010D+01  0.515768D-01 -0.137610D+01
      3   0.232714D-01  0.252605D-01  0.515768D-01 -0.159262D+00 -0.659064D-01
                86            87            88            89            90 
      1  -0.137610D+01 -0.659064D-01  0.153336D+00  0.127212D+00  0.427651D-01
      2  -0.102918D+02 -0.165044D+00  0.127212D+00 -0.452794D-01 -0.236759D+00
      3  -0.165044D+00 -0.834749D+00  0.427651D-01 -0.236759D+00 -0.216704D-01
                91            92            93            94            95 
      1  -0.210472D+02  0.206351D+01  0.472199D-01  0.244447D+01 -0.655336D+00
      2   0.206351D+01 -0.427021D+00 -0.559895D-01 -0.655336D+00 -0.513848D+01
      3   0.472199D-01 -0.559895D-01 -0.347491D+01 -0.124068D+01  0.612439D-01
                96            97            98            99           100 
      1  -0.124068D+01 -0.137851D+01 -0.329571D+00 -0.841509D+01 -0.770525D+01
      2   0.612439D-01 -0.329571D+00 -0.404522D+00  0.127007D+01 -0.224728D+01
      3   0.122049D+01 -0.841509D+01  0.127007D+01  0.614955D-01  0.173796D+01
               101           102           103           104           105 
      1  -0.224728D+01  0.173796D+01 -0.703267D+01  0.627961D+00  0.105747D+01
      2   0.253896D+00 -0.311941D+00  0.627961D+00  0.447229D+01  0.129021D+01
      3  -0.311941D+00  0.342782D+01  0.105747D+01  0.129021D+01 -0.282916D+01
               106           107           108           109           110 
      1  -0.539538D+01  0.526171D+00  0.578688D+01 -0.816879D+01  0.269300D+01
      2   0.526171D+00  0.562400D+00 -0.221253D+01  0.269300D+01 -0.865962D+00
      3   0.578688D+01 -0.221253D+01 -0.288413D+00 -0.464319D+00  0.415020D+00
               111           112           113           114           115 
      1  -0.464319D+00  0.257195D+01 -0.577654D+00  0.946964D+00  0.107716D+02
      2   0.415020D+00 -0.577654D+00  0.101064D+01  0.216718D+00 -0.709919D+00
      3   0.112500D+01  0.946964D+00  0.216718D+00 -0.574037D+00  0.523057D+01
               116           117           118           119           120 
      1  -0.709919D+00  0.523057D+01 -0.111937D+01  0.139288D+01  0.223472D-01
      2   0.112712D+01 -0.622290D+00  0.139288D+01  0.818564D+00 -0.995629D-01
      3  -0.622290D+00  0.465262D+00  0.223472D-01 -0.995629D-01  0.849264D+00
               121           122           123           124           125 
      1   0.323860D+01  0.202994D+01 -0.367996D-01  0.709023D+00 -0.488740D-01
      2   0.202994D+01  0.668305D+01 -0.328923D+00 -0.488740D-01 -0.291482D-01
      3  -0.367996D-01 -0.328923D+00  0.144220D+01  0.121657D+01  0.856136D+00
               126           127           128           129           130 
      1   0.121657D+01  0.160156D+02  0.126018D+01 -0.363825D+01  0.316639D+01
      2   0.856136D+00  0.126018D+01  0.110478D+01 -0.182840D+00  0.151922D+01
      3  -0.295287D+00 -0.363825D+01 -0.182840D+00  0.220799D+01 -0.938413D+00
               131           132           133           134           135 
      1   0.151922D+01 -0.938413D+00 -0.870074D+00 -0.218613D+00  0.111280D+01
      2   0.271425D+00 -0.501221D+00 -0.218613D+00  0.119778D-01  0.414769D+00
      3  -0.501221D+00  0.923149D+00  0.111280D+01  0.414769D+00 -0.484526D+00
               136           137           138           139           140 
      1  -0.349074D+00  0.536775D+00 -0.903404D+00  0.131571D+01 -0.285939D-01
      2   0.536775D+00 -0.602062D+00  0.514220D+00 -0.285939D-01  0.743243D+00
      3  -0.903404D+00  0.514220D+00 -0.307524D+01 -0.237981D+00 -0.159027D+01
               141           142           143           144           145 
      1  -0.237981D+00 -0.316051D+00 -0.489518D-01 -0.449650D+00  0.704076D+00
      2  -0.159027D+01 -0.489518D-01 -0.123057D+01  0.158568D+01 -0.726738D+00
      3   0.277655D+01 -0.449650D+00  0.158568D+01 -0.691523D+01 -0.130473D+00
               146           147           148           149           150 
      1  -0.726738D+00 -0.130473D+00 -0.238238D+01  0.857746D+00  0.978689D+00
      2   0.798177D-01  0.359936D-01  0.857746D+00 -0.605866D+01 -0.169939D+01
      3   0.359936D-01 -0.545945D+00  0.978689D+00 -0.169939D+01 -0.200576D+01
               151           152           153           154           155 
      1   0.165411D+00  0.226062D+00 -0.161908D+00  0.206487D+02 -0.358641D+01
      2   0.226062D+00 -0.719409D+00 -0.794922D+00 -0.358641D+01  0.218189D+01
      3  -0.161908D+00 -0.794922D+00 -0.734585D+00  0.116809D+01 -0.341803D+00
               156           157           158           159           160 
      1   0.116809D+01 -0.677941D+01  0.475671D+01 -0.693742D+00  0.140945D+01
      2  -0.341803D+00  0.475671D+01 -0.310439D+01  0.254518D+00 -0.326590D+00
      3   0.301787D+01 -0.693742D+00  0.254518D+00 -0.108324D+01  0.239756D+01
               161           162           163           164           165 
      1  -0.326590D+00  0.239756D+01  0.150404D+02 -0.144859D+01  0.452246D+01
      2  -0.316094D+00 -0.824081D+00 -0.144859D+01  0.216766D+00  0.281195D+00
      3  -0.824081D+00 -0.205509D+00  0.452246D+01  0.281195D+00  0.137489D+01
               166           167           168           169           170 
      1  -0.469854D+01  0.343129D+00 -0.907936D+00  0.805754D+00  0.675818D+00
      2   0.343129D+00  0.148470D+00  0.148628D+01  0.675818D+00  0.431019D+00
      3  -0.907936D+00  0.148628D+01 -0.656642D+00  0.734694D+00  0.351104D+00
               171           172           173           174           175 
      1   0.734694D+00 -0.117589D+02  0.974272D+00 -0.246797D+01  0.344585D+01
      2   0.351104D+00  0.974272D+00 -0.371684D+00 -0.281771D+00 -0.431572D-01
      3   0.763595D+01 -0.246797D+01 -0.281771D+00 -0.326841D+01  0.767404D+00
               176           177           178           179           180 
      1  -0.431572D-01  0.767404D+00 -0.680843D+01  0.917491D-01 -0.247181D+01
      2   0.634976D+00  0.803578D+00  0.917491D-01  0.917747D+00  0.269402D+00
      3   0.803578D+00  0.117422D+01 -0.247181D+01  0.269402D+00  0.432993D+00
               181           182           183           184           185 
      1  -0.126804D+02  0.186752D+01  0.475474D+00  0.704135D+01  0.684153D+00
      2   0.186752D+01 -0.107703D+02  0.929734D-01  0.684153D+00 -0.555335D+01
      3   0.475474D+00  0.929734D-01 -0.175743D+01 -0.316538D+00 -0.978757D-01
               186           187           188           189           190 
      1  -0.316538D+00  0.251254D+00  0.248391D+00 -0.521672D+01 -0.358434D+02
      2  -0.978757D-01  0.248391D+00  0.649477D+00  0.307555D+01  0.104602D+01
      3   0.100971D+01 -0.521672D+01  0.307555D+01  0.112349D+01  0.177018D+01
               191           192           193           194           195 
      1   0.104602D+01  0.177018D+01  0.157291D+02 -0.101312D+01 -0.847062D+00
      2  -0.717052D+01 -0.157625D+00 -0.101312D+01  0.132587D+02  0.109524D+00
      3  -0.157625D+00 -0.286642D+01 -0.847062D+00  0.109524D+00  0.442626D+00
               196           197           198           199           200 
      1   0.221820D+01  0.105653D+00 -0.701169D+01  0.425516D+02 -0.423498D+01
      2   0.105653D+00  0.879757D+00  0.595977D+00 -0.423498D+01  0.807285D+01
      3  -0.701169D+01  0.595977D+00  0.125971D+01 -0.282652D+01 -0.428944D-02
               201           202           203           204           205 
      1  -0.282652D+01 -0.183762D+02 -0.596241D+00  0.113024D+01 -0.406839D+01
      2  -0.428944D-02 -0.596241D+00 -0.528848D+01  0.958090D-01  0.154824D-01
      3   0.365813D+00  0.113024D+01  0.958090D-01 -0.231114D+01  0.269634D+00
               206           207           208           209           210 
      1   0.154824D-01  0.269634D+00  0.382792D+01  0.117094D+01 -0.337117D+00
      2  -0.632503D+00 -0.379714D+01  0.117094D+01  0.240523D+01  0.931301D-01
      3  -0.379714D+01 -0.270103D+00 -0.337117D+00  0.931301D-01  0.182455D+00
               211           212           213           214           215 
      1   0.351943D+00 -0.217420D+01 -0.220668D+00 -0.407851D+00 -0.966852D-01
      2  -0.217420D+01  0.166815D+01  0.238189D+00 -0.966852D-01 -0.192985D+00
      3  -0.220668D+00  0.238189D+00 -0.105610D+01 -0.487255D+00  0.468643D+00
               216           217           218           219           220 
      1  -0.487255D+00  0.173843D+01 -0.179938D+01 -0.332559D+00 -0.230657D+01
      2   0.468643D+00 -0.179938D+01 -0.317032D+01  0.473682D+00  0.775865D+00
      3   0.791415D-01 -0.332559D+00  0.473682D+00 -0.221643D+01  0.705616D+00
               221           222           223           224           225 
      1   0.775865D+00  0.705616D+00 -0.125207D-01  0.528079D+00  0.111313D+01
      2  -0.978916D+00 -0.301028D+00  0.528079D+00  0.672378D-01  0.424186D+01
      3  -0.301028D+00  0.564121D+01  0.111313D+01  0.424186D+01  0.387012D+00
               226           227           228           229           230 
      1   0.597876D+00  0.129176D+01 -0.254552D-01  0.280179D+00  0.684219D+00
      2   0.129176D+01  0.239703D+01 -0.535062D-01  0.684219D+00  0.108649D+02
      3  -0.254552D-01 -0.535062D-01  0.172130D+00  0.610738D-01  0.908749D-01
               231           232           233           234           235 
      1   0.610738D-01 -0.395186D-01 -0.650390D-01 -0.171372D+00 -0.736072D+01
      2   0.908749D-01 -0.650390D-01  0.451421D-01  0.294521D+00  0.472801D+01
      3   0.842750D+00 -0.171372D+00  0.294521D+00  0.501159D-01  0.657765D+00
               236           237           238           239           240 
      1   0.472801D+01  0.657765D+00  0.547161D+01 -0.529511D+01 -0.483384D+00
      2  -0.403892D+01 -0.415432D+00 -0.529511D+01  0.611591D+01  0.518990D+00
      3  -0.415432D+00 -0.669102D+00 -0.483384D+00  0.518990D+00  0.804309D+00
               241           242           243           244           245 
      1   0.823983D+00 -0.494551D+00  0.157035D+00 -0.161214D+01 -0.212964D+01
      2  -0.494551D+00  0.463689D+00  0.375342D+00 -0.212964D+01 -0.121787D+01
      3   0.157035D+00  0.375342D+00  0.491976D-01  0.682105D-01  0.145491D+00
               246           247           248           249           250 
      1   0.682105D-01 -0.331708D+01 -0.322398D+01  0.120770D+00  0.152415D-01
      2   0.145491D+00 -0.322398D+01 -0.671306D+01  0.847793D-01  0.107978D+00
      3  -0.871928D-01  0.120770D+00  0.847793D-01 -0.570184D+00 -0.411689D-01
               251           252           253           254           255 
      1   0.107978D+00 -0.411689D-01  0.501926D+00  0.472704D+00 -0.677187D+00
      2  -0.622572D-01  0.485838D-01  0.472704D+00  0.533687D+00  0.348569D-01
      3   0.485838D-01 -0.139024D-01 -0.677187D+00  0.348569D-01  0.927576D+00
               256           257           258           259           260 
      1  -0.951793D+00 -0.180688D+01 -0.119189D+01 -0.394035D+01 -0.233532D+01
      2  -0.180688D+01 -0.271228D+01 -0.196606D+01 -0.233532D+01 -0.255376D+01
      3  -0.119189D+01 -0.196606D+01 -0.235774D+01 -0.226963D+01 -0.275120D+01
               261           262           263           264           265 
      1  -0.226963D+01 -0.161733D+02 -0.137805D+01  0.108377D+01  0.112330D+01
      2  -0.275120D+01 -0.137805D+01 -0.106738D+01  0.740312D-01 -0.111966D+01
      3  -0.485219D+01  0.108377D+01  0.740312D-01 -0.116176D+01 -0.958294D-01
               266           267           268           269           270 
      1  -0.111966D+01 -0.958294D-01  0.116315D+01  0.833879D-01 -0.159015D+01
      2   0.215578D+00  0.114195D+00  0.833879D-01  0.117391D+00 -0.484084D+00
      3   0.114195D+00 -0.117928D+00 -0.159015D+01 -0.484084D+00  0.320136D+00
               271           272           273           274           275 
      1   0.128911D+01  0.749233D+00  0.409800D+00 -0.739255D+00 -0.156327D+01
      2   0.749233D+00  0.100192D+01 -0.641544D+00 -0.156327D+01 -0.300839D+01
      3   0.409800D+00 -0.641544D+00  0.154666D+01  0.893436D+00  0.233161D+01
               276           277           278           279 
      1   0.893436D+00  0.301397D+01  0.174059D+01 -0.192819D+01
      2   0.233161D+01  0.174059D+01  0.254615D+01 -0.301119D+01
      3  -0.268097D+01 -0.192819D+01 -0.301119D+01  0.487006D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.201762D+01  0.318536D+01  0.222356D+00  0.523590D+01 -0.312066D+01
      2   0.902893D+01 -0.198558D+00  0.262897D+00  0.106041D+02 -0.120319D+01
      3   0.345623D+02  0.288221D+02 -0.174915D+01  0.539801D+02 -0.172538D+02
                 6             7             8             9            10 
      1  -0.657392D+00 -0.399300D+01  0.670630D+01  0.307557D+00 -0.105336D+01
      2   0.748291D+00 -0.196603D+02  0.248449D+01  0.149482D+01 -0.135857D+02
      3  -0.372974D+01  0.427098D-01 -0.352197D+01  0.199102D+01 -0.238873D+02
                11            12            13            14            15 
      1   0.404716D+01  0.547792D+00  0.294528D+01 -0.743554D+00  0.122073D+00
      2   0.749250D+00 -0.398304D+01 -0.112712D+02  0.139153D+01  0.350326D+00
      3   0.319294D+02  0.186320D+01  0.449362D+02 -0.225685D+02 -0.389799D+01
                16            17            18            19            20 
      1  -0.365207D+01  0.792155D+01  0.326699D+00 -0.300990D+01 -0.107046D+01
      2  -0.213123D+02  0.117244D+01  0.180206D+01 -0.160759D+02  0.241867D+01
      3   0.333149D+01 -0.354169D+01 -0.132102D+01 -0.466215D+02 -0.221284D+02
                21            22            23            24            25 
      1   0.108788D+01 -0.739722D+00 -0.124510D+01 -0.308027D+01 -0.691470D+01
      2  -0.697392D+00  0.819614D+01 -0.151393D+01  0.224793D+01 -0.174437D+02
      3   0.260975D+01  0.181806D+02 -0.267722D+01 -0.493419D+00  0.290265D+01
                26            27            28            29            30 
      1  -0.426738D-01 -0.170823D+01 -0.985883D+00  0.134210D+01 -0.494280D+00
      2   0.747489D+01  0.164867D+01  0.204317D+02 -0.171315D+01  0.141573D+01
      3   0.230854D+01 -0.316353D+01  0.218093D+02  0.738097D+01 -0.964604D+00
                31            32            33            34            35 
      1   0.577696D+01  0.258545D+01  0.253626D+01 -0.269946D+01  0.144804D+02
      2  -0.718378D+00  0.609509D+00 -0.174227D+01 -0.158845D+02  0.220821D+01
      3   0.241296D+02  0.212891D+01  0.521303D+00  0.129884D+01 -0.167574D+01
                36            37            38            39            40 
      1   0.117958D+01 -0.346401D+00 -0.218721D+01  0.327633D+01 -0.136082D+01
      2   0.141957D+01 -0.264535D+00 -0.455615D+00  0.135554D+01 -0.553620D+01
      3   0.389518D+01 -0.249454D+02 -0.315608D+01  0.538564D+00 -0.743256D+01
                41            42            43            44            45 
      1  -0.232103D+01 -0.102598D+01  0.157988D+02  0.663038D+01 -0.893635D+00
      2   0.826944D+00 -0.146372D+01 -0.112809D+02 -0.666963D+01  0.158979D+01
      3  -0.904000D+01 -0.132663D+01 -0.946594D+00 -0.138641D+01 -0.530459D+01
                46            47            48            49            50 
      1   0.166822D+01 -0.649965D+00 -0.373940D+01 -0.147210D+01  0.190044D+01
      2  -0.206572D+01  0.702692D-01  0.138505D+01 -0.559825D+00  0.301851D+00
      3   0.458525D+02 -0.272686D+02 -0.268960D+01 -0.139921D+02  0.220506D+02
                51            52            53            54            55 
      1  -0.239029D+01 -0.875643D+01 -0.270091D+01  0.276926D+01  0.206723D+01
      2  -0.592816D+00 -0.186407D+02 -0.619689D+00  0.775875D+00 -0.110624D+01
      3   0.190269D+01 -0.387113D+01  0.260953D+01  0.594252D+01  0.267676D+02
                56            57            58            59            60 
      1  -0.354736D+01 -0.437638D+01  0.125343D+00  0.209849D+01 -0.248144D+01
      2  -0.145951D+01 -0.387911D+01  0.102627D+01 -0.558591D+00 -0.339383D+01
      3  -0.158602D+02 -0.800475D+00 -0.663870D+00  0.217485D+02  0.208814D+00
                61            62            63            64            65 
      1  -0.757652D+01 -0.415822D+01  0.121664D+01 -0.480568D+00  0.533206D-01
      2  -0.234353D+02 -0.652821D+01  0.179916D+01 -0.194682D-01  0.443338D+00
      3  -0.119784D+01  0.165489D+01  0.129503D+02  0.108220D+00  0.717155D+00
                66            67            68            69            70 
      1  -0.112987D+01 -0.564307D+00 -0.161650D+01 -0.387986D+01  0.301934D+00
      2   0.291504D+00  0.643673D+00  0.559005D+00  0.142394D+01 -0.178701D+01
      3   0.102034D+00  0.473658D+01 -0.479535D+01 -0.355693D-01  0.159632D-01
                71            72            73            74            75 
      1   0.198987D+01  0.257270D+00 -0.529918D+00 -0.550073D+00  0.258964D+01
      2  -0.829760D+00 -0.762604D-01  0.199614D+01 -0.989948D+00  0.160854D+01
      3  -0.241817D+00  0.511372D+00 -0.926328D+01  0.104187D+00  0.831687D+00
                76            77            78            79            80 
      1  -0.101215D+01  0.142473D+01 -0.272604D+01 -0.211109D+01  0.146204D+01
      2  -0.132605D+01  0.111000D+01 -0.234533D+01 -0.248941D+01  0.137633D+00
      3   0.160390D+01  0.250817D+01  0.331020D-01  0.194572D+01  0.348932D-01
                81            82            83            84            85 
      1   0.760847D-01  0.790367D+00  0.923039D+00 -0.121324D+01  0.343707D+00
      2  -0.745749D-01 -0.210196D+00 -0.373211D+00  0.664108D+00 -0.247651D+00
      3   0.741420D+00  0.525536D+01  0.247305D+01 -0.243640D+00  0.507805D+01
                86            87            88            89            90 
      1   0.284822D+01 -0.435114D+01  0.116596D+01  0.183877D+01 -0.850300D-01
      2  -0.495827D+00  0.102597D+01 -0.384630D+00  0.969347D+00  0.111773D-01
      3   0.393976D+01  0.910188D-01 -0.548724D+00 -0.243587D+00 -0.112773D+01
                91            92            93            94            95 
      1  -0.221884D+01  0.639224D+00  0.787828D+00  0.234101D+01  0.229759D+01
      2  -0.141954D+02  0.107378D+01 -0.777272D+01 -0.974762D+00 -0.936543D+00
      3  -0.131820D+02 -0.532956D+01  0.439400D-01  0.111572D+02  0.235023D+02
                96            97            98            99           100 
      1  -0.272254D+01  0.328857D+01  0.354780D+01 -0.943467D+00  0.414838D+01
      2   0.308517D+01 -0.393013D+02  0.446910D+01 -0.363637D+01 -0.131015D+02
      3  -0.855492D+00  0.335493D+00  0.503219D+00 -0.886887D+01  0.148995D+02
               101           102           103           104           105 
      1  -0.236423D+01  0.760416D+00  0.371733D+00 -0.108306D+02 -0.679935D+01
      2  -0.429254D+01  0.213528D+02 -0.306900D+01  0.631834D+01 -0.109129D+02
      3  -0.571739D+01 -0.677395D+00 -0.426777D+00 -0.235882D+02 -0.607749D+01
               106           107           108           109           110 
      1  -0.125352D+01 -0.834064D+00  0.695047D+01  0.764661D+01 -0.252933D+01
      2   0.163729D+02 -0.885184D+01  0.788596D+01  0.155610D+02 -0.155489D+01
      3  -0.372960D+01 -0.463499D+01  0.107978D+02  0.148765D+00  0.143112D+02
               111           112           113           114           115 
      1  -0.797234D+01 -0.132425D+02  0.268588D+01 -0.140398D+02 -0.805772D+01
      2   0.239214D+01  0.130271D+01  0.158945D+01  0.777200D+01  0.151731D+02
      3   0.186114D+01  0.196647D+02 -0.157339D+02  0.164226D+01  0.761784D+01
               116           117           118           119           120 
      1  -0.405728D+01 -0.284980D+01 -0.651037D+00 -0.664013D+00 -0.289482D+00
      2   0.111087D+01  0.773758D+00 -0.340756D+00  0.367088D+00  0.345490D+01
      3   0.553946D+00  0.560749D+01 -0.767627D+01 -0.273437D+01  0.196874D+00
               121           122           123           124           125 
      1  -0.863937D+00 -0.372384D+01 -0.242969D+01 -0.265331D+00  0.326074D+00
      2   0.118496D+01  0.445248D+00  0.461231D+01  0.235084D+01  0.248046D+01
      3  -0.184092D+01 -0.240714D+02  0.974020D+00  0.947951D+00 -0.103801D+00
               126           127           128           129           130 
      1   0.192963D+00 -0.216700D+01 -0.317963D+01 -0.764711D-01 -0.305430D+01
      2  -0.397273D+00  0.127863D+02  0.168202D+01  0.650257D+01  0.160905D+01
      3  -0.193679D+01 -0.505209D+01 -0.755378D+01  0.732805D+00 -0.555422D+01
               131           132           133           134           135 
      1  -0.702146D-01 -0.925557D-01  0.707394D+00  0.805347D+00 -0.880718D+00
      2   0.450013D+00  0.273492D+01  0.242154D+01  0.871091D+00  0.439566D+00
      3  -0.376135D+00  0.190712D+01  0.418164D+00  0.169920D+01 -0.158883D+01
               136           137           138           139           140 
      1  -0.184721D+01  0.270630D+01 -0.940147D+00  0.107633D+01 -0.202004D+01
      2  -0.678316D+01  0.337692D+01 -0.131272D+02  0.227850D+01 -0.645596D+01
      3  -0.282889D+01  0.237994D+01 -0.192656D+01  0.198147D+01 -0.244344D+01
               141           142           143           144           145 
      1   0.210941D+01 -0.256573D-01  0.460045D+01 -0.350012D+01  0.260343D+01
      2   0.106421D+02 -0.591699D+01  0.681060D+01 -0.278038D+02 -0.142832D+00
      3   0.581057D+01  0.275939D+00  0.425103D+01 -0.623296D+01  0.467916D+01
               146           147           148           149           150 
      1   0.205565D+00 -0.465618D+00 -0.330255D+00  0.139847D+02  0.459834D+00
      2  -0.119144D+01 -0.178965D+01 -0.802387D+00 -0.566599D+01 -0.623595D+01
      3   0.312015D+00 -0.572113D+00  0.105237D+01  0.265682D+02  0.620470D+01
               151           152           153           154           155 
      1  -0.566172D+00  0.230172D+01  0.133109D+01 -0.584733D+01  0.301448D+01
      2  -0.109176D+01 -0.243956D+01 -0.297434D+01 -0.827308D+01  0.117094D+01
      3  -0.181529D+01  0.247649D+01  0.330794D+01  0.132996D+02 -0.230985D+02
               156           157           158           159           160 
      1   0.401558D+01  0.910903D+01 -0.388581D+01 -0.659571D+00  0.200729D+01
      2   0.225566D+02 -0.394577D+01 -0.190833D+01 -0.987170D+01  0.604498D+01
      3   0.205636D+00 -0.196301D+02  0.190318D+02 -0.162780D+01  0.864290D-02
               161           162           163           164           165 
      1   0.289159D+01 -0.649633D+00 -0.874835D+01  0.263423D+01  0.539015D+00
      2  -0.329870D+01 -0.230285D+01 -0.124120D+02  0.463214D+01  0.205210D+01
      3  -0.106896D+01  0.307005D+01  0.118118D+02 -0.421961D+01  0.730441D+00
               166           167           168           169           170 
      1   0.708229D+01 -0.890135D-01  0.458992D+01 -0.145327D+01  0.877658D+01
      2   0.629863D+01  0.512065D+01 -0.337721D+01 -0.689452D+01  0.112417D+01
      3  -0.366944D+01  0.496613D-01 -0.765050D+01 -0.204045D+01 -0.246307D+01
               171           172           173           174           175 
      1  -0.887018D+00  0.859515D+01 -0.254589D+01  0.206993D+01 -0.728374D+01
      2   0.261653D+02  0.230487D+02 -0.396403D+01 -0.691803D+01 -0.604049D+01
      3  -0.180056D+01 -0.937592D+01  0.238092D+01 -0.119398D+01  0.722293D+01
               176           177           178           179           180 
      1   0.578792D+00 -0.270966D+01  0.244771D+01 -0.812782D+00  0.105753D+01
      2   0.354326D+01  0.285767D+01 -0.119996D+01  0.474615D+00  0.363389D+01
      3  -0.107393D+01 -0.811883D+00 -0.468875D+01  0.308884D+00 -0.188534D+01
               181           182           183           184           185 
      1  -0.366032D+00  0.187598D+01  0.449588D+01 -0.112700D+01 -0.151367D+01
      2  -0.140192D+01  0.773428D-01  0.639349D+01  0.139168D+01  0.163662D+01
      3  -0.236110D+02 -0.818961D+01  0.123807D+01 -0.508988D+01 -0.282605D+02
               186           187           188           189           190 
      1  -0.139696D+01  0.171222D+02  0.742892D+01 -0.237217D+01 -0.146095D+01
      2  -0.160720D+01  0.233143D+01 -0.118668D+02 -0.217428D+01 -0.800976D+01
      3  -0.382890D+00  0.514279D-01 -0.730669D+00 -0.265991D+01 -0.232952D+02
               191           192           193           194           195 
      1   0.434692D+01  0.130143D+01  0.500103D+01 -0.101625D+01  0.303941D+01
      2  -0.179574D+00 -0.658804D+00  0.290076D+01 -0.173511D+01 -0.112534D+01
      3   0.192938D+02  0.215529D+01  0.596930D+02  0.220732D+02 -0.430293D+01
               196           197           198           199           200 
      1  -0.326823D+01  0.142729D+02  0.585533D+00  0.426642D+00 -0.305780D+01
      2   0.170687D+01 -0.164183D+01 -0.154523D+01  0.975074D+01 -0.460875D-01
      3   0.374704D+01 -0.252704D+01  0.130740D+00  0.138703D+02 -0.224851D+02
               201           202           203           204           205 
      1  -0.395175D+00 -0.116293D+01  0.104110D+01 -0.257051D+01 -0.121923D+01
      2   0.280887D+01 -0.315513D+01 -0.289657D+00  0.439313D+01 -0.224611D+02
      3  -0.199797D+01 -0.184445D+02 -0.374438D+00  0.205119D+01 -0.282721D+01
               206           207           208           209           210 
      1   0.259861D+01  0.432480D+00  0.133002D+01 -0.395268D+01 -0.121667D+01
      2   0.136712D+02  0.190183D+01  0.727470D+00  0.493893D+00  0.106765D+02
      3   0.216805D+01 -0.673480D+01  0.190582D+02 -0.395277D+02 -0.215374D+01
               211           212           213           214           215 
      1  -0.337049D+00  0.929726D-01 -0.691199D+01  0.363901D+01 -0.317322D+00
      2   0.707766D+00 -0.547461D+00  0.772614D+01 -0.436486D+01 -0.500972D+01
      3  -0.200947D+01  0.348558D+01  0.689920D+00 -0.199345D+01  0.337223D+01
               216           217           218           219           220 
      1  -0.343806D+00 -0.194336D+01  0.657091D+00 -0.338834D+01  0.423003D+00
      2  -0.666660D+00  0.194148D+01 -0.239261D+01  0.122633D+02 -0.314187D+01
      3   0.186485D+01 -0.360698D+02 -0.140097D+02  0.587042D+01 -0.103610D+01
               221           222           223           224           225 
      1   0.126891D+01  0.960608D+01  0.116554D+02  0.120573D+02  0.160448D+01
      2   0.100009D+01 -0.324297D+02 -0.379964D+01 -0.230137D+02 -0.255800D+01
      3   0.181899D+02 -0.146029D+01  0.477964D+01 -0.606994D+00  0.304796D+02
               226           227           228           229           230 
      1   0.245610D+00  0.260926D+00 -0.134868D+01 -0.126227D+00 -0.246342D+00
      2   0.156683D-01  0.110484D+00  0.194152D+00 -0.163355D+00 -0.425086D+00
      3   0.692833D+01  0.668495D+01 -0.375348D+00  0.487063D+01  0.228547D+02
               231           232           233           234           235 
      1  -0.476155D+01  0.728015D+00  0.193930D+01 -0.146090D+00 -0.978497D+00
      2  -0.542699D+00  0.526555D+00  0.717849D-01 -0.965100D-01 -0.155597D+01
      3   0.356941D+00 -0.543359D+00 -0.226312D+00 -0.488042D+00 -0.249556D+00
               236           237           238           239           240 
      1   0.263528D+00  0.254988D+01  0.292093D+00 -0.111228D+00 -0.302499D+01
      2   0.999207D+00  0.370094D+01  0.109731D+01 -0.132175D+01 -0.410049D+01
      3  -0.651967D+01 -0.752613D-01 -0.682798D+01  0.128013D+02  0.925669D+00
               241           242           243           244           245 
      1  -0.243607D+01  0.686622D+00  0.351210D-02  0.347026D+00  0.321299D+00
      2  -0.247301D+01 -0.145395D+01 -0.232906D+00 -0.384145D+00 -0.568976D+00
      3   0.222394D+00  0.713857D+00  0.183965D+01 -0.889535D+00 -0.128018D+01
               246           247           248           249           250 
      1  -0.607379D+00  0.454155D+00  0.226639D+00 -0.304199D+01 -0.175748D+00
      2   0.285085D+00 -0.562035D+00 -0.352532D+00  0.188320D+01 -0.120101D+01
      3   0.995674D-01 -0.680953D+00 -0.160703D+02 -0.128242D+00  0.108023D+00
               251           252           253           254           255 
      1   0.141004D+01  0.396865D-01 -0.594253D+00  0.262139D+00  0.200247D+01
      2  -0.129366D+01  0.802432D-01  0.557977D+01  0.268011D+00 -0.436832D+01
      3  -0.408408D+00  0.424540D+00  0.407612D+00  0.537508D+01  0.183145D+01
               256           257           258           259           260 
      1  -0.133737D+01 -0.309249D+01 -0.523922D+01 -0.428866D+01 -0.304763D+01
      2   0.573161D+01  0.103476D+02  0.131709D+02  0.704482D+01  0.148374D+02
      3  -0.597126D+01 -0.188836D+02 -0.120322D+02 -0.756854D+01 -0.164258D+02
               261           262           263           264           265 
      1  -0.961344D+01  0.111278D+01 -0.460580D+00 -0.150606D+01 -0.260152D+00
      2   0.259776D+02 -0.254032D+01 -0.109693D+00  0.880497D+01  0.288813D+00
      3  -0.185277D+02  0.116817D+02 -0.819579D+01 -0.101758D+01 -0.536723D+01
               266           267           268           269           270 
      1   0.202914D+00 -0.906165D+00 -0.214476D+01 -0.364730D+00  0.210762D+00
      2  -0.372177D+00  0.716549D+00  0.707212D+01  0.243778D+01 -0.154136D+01
      3   0.251813D+01  0.644072D+00 -0.985190D+00  0.894575D+00 -0.193359D+01
               271           272           273           274           275 
      1   0.229812D+00  0.205767D-01  0.291311D+01  0.495896D+00  0.132391D+01
      2  -0.519864D+01  0.264210D+01 -0.740090D+01 -0.374782D+01 -0.114679D+02
      3   0.556944D+00  0.846026D+01 -0.556175D+01 -0.431398D+01 -0.209894D+02
               276           277           278           279 
      1  -0.439070D+01 -0.275420D+01 -0.168774D+01  0.741984D+01
      2   0.143507D+02  0.464175D+01  0.154606D+02 -0.245173D+02
      3   0.140481D+02  0.470619D+01  0.162579D+02 -0.199802D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.653899D+02  0.196433D+02  0.475269D+01 -0.863525D+02 -0.164728D+01
      2   0.269752D+02 -0.117373D+02 -0.249555D+01  0.346973D+02  0.132846D+02
      3   0.384147D+02 -0.790603D+01 -0.225714D+01  0.516552D+02 -0.116374D+02
      4  -0.118820D+02  0.162006D+02  0.131433D+01  0.114612D+02 -0.229543D+02
      5   0.117598D+01 -0.109259D+01 -0.126302D+01 -0.311092D+01  0.153195D+01
      6   0.701510D+00 -0.145167D+01  0.131865D+00  0.196065D+01 -0.166761D+01
                 6             7             8             9            10 
      1   0.700759D+01  0.506940D+01 -0.119099D+01 -0.975836D+01  0.770450D+02
      2  -0.251570D+01 -0.265948D+01  0.154357D+01 -0.132110D+01 -0.220150D+02
      3  -0.449190D+01 -0.240992D+01 -0.352581D+00  0.110795D+02 -0.550301D+02
      4  -0.142901D+01  0.837682D+00 -0.144895D+01 -0.188188D+01  0.317561D+02
      5   0.313425D+01  0.679748D+00 -0.476100D+00  0.154810D+01 -0.922456D+00
      6  -0.229028D+00  0.319022D+01  0.398513D+01 -0.895868D+00 -0.298111D+01
                11            12            13            14            15 
      1   0.157130D+02 -0.698395D+01  0.910508D+02 -0.201467D+02 -0.724069D+01
      2  -0.123801D+02  0.148176D+01 -0.328763D+02  0.127318D+02  0.295622D+01
      3  -0.333292D+01  0.550219D+01 -0.581745D+02  0.741492D+01  0.428447D+01
      4   0.119623D+02 -0.137616D+01 -0.259803D+02  0.204402D+02  0.203193D+01
      5  -0.983876D+00 -0.986250D+01  0.213760D+01 -0.517075D+00 -0.131264D+01
      6   0.435070D+00 -0.160456D+00 -0.242303D+00  0.190569D+01 -0.108649D+01
                16            17            18            19            20 
      1  -0.506351D+01 -0.151764D+01 -0.512068D+01  0.445740D+02 -0.262474D+02
      2   0.258663D+00  0.990893D+00 -0.369762D+01 -0.999651D+01  0.145839D+02
      3   0.480484D+01  0.526744D+00  0.881830D+01 -0.345775D+02  0.116635D+02
      4  -0.270706D+01 -0.409179D+00  0.371722D+01  0.504837D+00 -0.232290D+02
      5   0.249424D+01  0.195969D+01  0.232573D+01  0.554628D+00  0.142313D+01
      6   0.195807D+01  0.269293D+01  0.791790D-01 -0.135995D+01  0.504580D+01
                21            22            23            24            25 
      1  -0.792311D+01  0.108243D+02  0.198655D+02  0.345809D+01 -0.493340D+01
      2   0.365573D+01 -0.261495D+02 -0.251499D+02 -0.443155D+00  0.271161D+00
      3   0.426738D+01  0.153252D+02  0.528445D+01 -0.301493D+01  0.466224D+01
      4  -0.919883D-01  0.886695D+01 -0.121742D+01 -0.226886D+00  0.199907D+01
      5  -0.445420D+01 -0.604106D+00 -0.114764D-01  0.876031D+01  0.121097D+02
      6  -0.376895D+00  0.712336D+00 -0.195384D+01  0.594882D+01  0.371463D+01
                26            27            28            29            30 
      1   0.781321D+01 -0.123051D+02  0.166616D+02 -0.709519D+01  0.482337D+01
      2  -0.280548D+01  0.596793D+00 -0.392798D+02  0.641069D+01 -0.106835D+01
      3  -0.500773D+01  0.117083D+02  0.226181D+02  0.684500D+00 -0.375502D+01
      4   0.178778D+01  0.669956D+01 -0.220374D+01  0.138986D+02  0.454997D+00
      5   0.891734D+01  0.287072D+01 -0.657282D+01  0.204569D+01  0.111402D+02
      6   0.133711D+02 -0.240670D+01  0.123195D+01 -0.256068D+01  0.227866D+01
                31            32            33            34            35 
      1   0.438000D+02 -0.462545D+02 -0.163769D+01  0.676449D+01 -0.223562D+01
      2  -0.298257D+02  0.399798D+02  0.193037D+01 -0.507873D+00  0.109760D+01
      3  -0.139743D+02  0.627464D+01 -0.292676D+00 -0.625662D+01  0.113803D+01
      4  -0.288616D+02 -0.155855D+02  0.216285D+00 -0.266041D+01 -0.372988D+00
      5  -0.240554D+01  0.171884D+01 -0.299513D+01  0.340938D+02 -0.353941D+01
      6   0.714567D+00  0.479190D+01 -0.381778D+01  0.446440D+01  0.311233D+01
                36            37            38            39            40 
      1   0.557237D+00 -0.210809D+02  0.533649D+02  0.395216D+01 -0.400146D+02
      2  -0.124686D+02  0.122106D+02 -0.361692D+02 -0.136662D+01  0.421101D+02
      3   0.119114D+02  0.887026D+01 -0.171958D+02 -0.258554D+01 -0.209548D+01
      4  -0.107711D+00  0.268209D+02  0.261851D+01 -0.274138D+01  0.167733D+02
      5  -0.178316D+01  0.451167D+00 -0.462834D+01  0.316950D+01  0.270618D+01
      6  -0.862042D+00 -0.358322D+01 -0.409225D+01 -0.669675D+01 -0.822387D+00
                41            42            43            44            45 
      1   0.253875D+02  0.817822D+00  0.249443D+01 -0.681445D+01 -0.121270D+02
      2  -0.242983D+02 -0.246456D+01  0.318509D+01  0.186098D+01 -0.648798D+00
      3  -0.108921D+01  0.164673D+01 -0.567952D+01  0.495347D+01  0.127758D+02
      4   0.242905D+02  0.528112D+00 -0.405291D+01  0.146068D+01 -0.700176D+01
      5  -0.957064D+00 -0.790012D+01  0.136389D+02 -0.747455D+01 -0.222181D+01
      6  -0.374583D+01  0.218027D+01 -0.181344D+02  0.886350D+01  0.494677D+01
                46            47            48            49            50 
      1   0.253475D+02 -0.419495D+02 -0.553391D+01  0.162934D+02  0.705450D+01
      2  -0.201896D+02  0.270222D+02  0.213902D+01 -0.123765D+02 -0.168574D+02
      3  -0.515792D+01  0.149273D+02  0.339490D+01 -0.391683D+01  0.980291D+01
      4  -0.311166D+02 -0.121246D+02  0.212582D+01  0.174325D+02 -0.103648D+02
      5   0.321914D+01  0.210348D+01  0.118981D+01  0.199650D+00 -0.817205D+00
      6   0.218034D+01  0.603363D+01  0.571284D+01 -0.175111D+01 -0.197161D+00
                51            52            53            54            55 
      1  -0.985130D+00 -0.415126D+01  0.337658D+01 -0.204573D+02 -0.178513D+02
      2  -0.405527D+00  0.250225D+01 -0.508148D+01  0.897408D+01  0.251310D+01
      3   0.139066D+01  0.164901D+01  0.170490D+01  0.114832D+02  0.153382D+02
      4  -0.133204D+01  0.325869D+01  0.293509D+01  0.215390D+01  0.237221D+02
      5   0.376008D+00  0.343572D+01  0.547187D+00  0.246134D+01 -0.324211D+01
      6   0.635973D+01  0.333226D+01  0.197168D+02  0.969935D+00  0.843662D+00
                56            57            58            59            60 
      1  -0.292646D+02 -0.210842D+01  0.613838D+00  0.165890D+02  0.735427D+00
      2   0.279870D+02  0.148620D+01 -0.589054D+01 -0.212991D+02 -0.286854D+00
      3   0.127754D+01  0.622220D+00  0.527670D+01  0.471019D+01 -0.448572D+00
      4  -0.561261D+02 -0.300887D+01  0.139383D+02 -0.103780D+02 -0.168154D+00
      5   0.996363D+00 -0.637888D+01  0.947079D+00 -0.319093D+00 -0.470404D+01
      6   0.301768D+01  0.736701D+01 -0.544831D+00 -0.390748D+00  0.704372D+01
                61            62            63            64            65 
      1  -0.694188D+00  0.243868D+01 -0.274840D+02 -0.143066D+01 -0.380901D+01
      2   0.105705D+01 -0.320889D+01  0.150175D+02  0.559476D+01  0.629274D+01
      3  -0.362864D+00  0.770209D+00  0.124665D+02 -0.416410D+01 -0.248373D+01
      4  -0.246649D+01  0.737675D+01 -0.105647D+02  0.861893D+01  0.117771D+02
      5  -0.223413D+01 -0.154780D+02  0.313347D+01 -0.860426D+00 -0.656493D+00
      6   0.319756D+01  0.247831D+02 -0.150148D+01 -0.126640D+01 -0.147285D+01
                66            67            68            69            70 
      1   0.914493D-01 -0.843042D+01 -0.309826D+02  0.120540D+01 -0.982024D+00
      2  -0.563877D-01  0.130038D+02  0.406787D+02 -0.873733D+00  0.637500D+00
      3  -0.350615D-01 -0.457341D+01 -0.969617D+01 -0.331662D+00  0.344524D+00
      4  -0.452295D+00  0.130694D+02  0.221443D+02 -0.561758D+00 -0.284978D+00
      5   0.132619D+01 -0.666179D+00  0.233111D+00  0.213811D+01 -0.285930D+00
      6   0.130868D+01 -0.182175D+01 -0.483456D+01  0.579111D+01  0.148494D+01
                71            72            73            74            75 
      1  -0.150252D+00 -0.290720D+01  0.676137D+01  0.161506D+01  0.900853D-02
      2   0.133976D+00  0.356683D+01  0.134771D+01 -0.767828D+01  0.139667D+00
      3   0.162762D-01 -0.659633D+00 -0.810908D+01  0.606322D+01 -0.148676D+00
      4  -0.493118D+00  0.988916D+00 -0.219588D+02  0.178685D+02  0.166477D+01
      5   0.163371D+00 -0.375664D+00 -0.494960D+01  0.211226D+01  0.422204D+01
      6   0.272295D+01 -0.368920D+00  0.312673D+01 -0.245115D+01 -0.244929D+01
                76            77            78            79            80 
      1   0.529103D+01 -0.130752D+02 -0.155963D+01 -0.127546D+01 -0.336820D+00
      2  -0.136135D+02  0.224286D+02  0.125546D+01  0.100716D+00  0.591338D+00
      3   0.832252D+01 -0.935346D+01  0.304170D+00  0.117475D+01 -0.254519D+00
      4   0.239006D+02 -0.258936D+02 -0.221659D+01  0.182027D+01 -0.126320D+01
      5   0.296412D+01 -0.248259D+01 -0.353944D+01  0.169650D+00 -0.141122D+01
      6  -0.386325D+01  0.483953D+01  0.484186D+01  0.785120D+00  0.224322D+01
                81            82            83            84            85 
      1   0.365602D-01 -0.432108D+01 -0.773555D+01  0.324301D+00 -0.552147D+01
      2   0.981757D+00  0.671349D+01  0.111489D+02 -0.252644D+00  0.709994D+01
      3  -0.101832D+01 -0.239242D+01 -0.341336D+01 -0.716570D-01 -0.157847D+01
      4  -0.246581D+01  0.451607D+01  0.124540D+02  0.254871D+00  0.726684D+01
      5  -0.364598D+00  0.864603D+00  0.123621D+01  0.187330D+01  0.697867D+00
      6   0.412392D+00  0.664328D+00  0.408791D+00  0.156965D+01  0.792443D+00
                86            87            88            89            90 
      1  -0.474553D+02 -0.101954D+01  0.899211D+00 -0.885982D-01 -0.210839D+01
      2   0.622914D+02  0.661152D+00 -0.655585D+00 -0.458221D-03  0.248918D+01
      3  -0.148361D+02  0.358390D+00 -0.243626D+00  0.890564D-01 -0.380787D+00
      4   0.149180D+02  0.399761D+00 -0.126619D+00 -0.713124D+00  0.205965D+01
      5   0.293141D+01  0.120136D+01  0.927183D+00  0.169161D+01 -0.113386D-01
      6   0.464190D+01  0.690661D+01 -0.466290D-02  0.378138D+01  0.181294D+00
                91            92            93            94            95 
      1  -0.168764D+02  0.718043D+01 -0.110624D+02  0.944481D+01  0.106175D+02
      2   0.258844D+02 -0.795523D+01 -0.721296D+00 -0.135896D+02 -0.186579D+02
      3  -0.900792D+01  0.774798D+00  0.117837D+02  0.414478D+01  0.804048D+01
      4   0.855903D+01 -0.183721D+01 -0.706836D+00 -0.397271D+01 -0.423447D+02
      5  -0.884041D+00 -0.210353D+01 -0.240932D+02 -0.142771D+02  0.773741D-01
      6  -0.194058D+01  0.231230D+01  0.653831D+00 -0.160530D+00  0.613221D+01
                96            97            98            99           100 
      1  -0.672389D+01 -0.844461D+01 -0.165905D+00 -0.265131D+02 -0.728777D+02
      2   0.944893D+01 -0.301218D+01  0.246256D+00  0.212780D+02  0.397613D+02
      3  -0.272504D+01  0.114568D+02 -0.803518D-01  0.523512D+01  0.331165D+02
      4  -0.151886D+00 -0.227763D+01 -0.173440D+01  0.766392D+01 -0.247929D+02
      5   0.699771D+01 -0.657026D+02  0.889321D+01  0.579742D+01  0.378760D+02
      6   0.149324D+01  0.206423D+01  0.627849D+00 -0.342233D+01  0.110634D+02
               101           102           103           104           105 
      1  -0.181996D+02  0.320162D+02 -0.313493D+02  0.110465D+02 -0.591223D+01
      2   0.727542D+01 -0.318369D+01  0.229882D+02 -0.724358D+01 -0.104304D+02
      3   0.109242D+02 -0.288325D+02  0.836113D+01 -0.380293D+01  0.163426D+02
      4   0.516231D+01  0.115074D-01  0.187148D+01  0.378247D+02  0.105588D+02
      5   0.400139D+01  0.173659D+02  0.166768D+02  0.698061D+01 -0.173918D+02
      6  -0.340007D+01  0.212138D+01 -0.147462D+01 -0.181915D+02 -0.656711D+01
               106           107           108           109           110 
      1   0.207308D+01 -0.754412D+01  0.348929D+02 -0.100007D+03  0.203779D+02
      2   0.175307D+02 -0.505725D+01 -0.152322D+02  0.425656D+02 -0.333141D+01
      3  -0.196038D+02  0.126014D+02 -0.196607D+02  0.574416D+02 -0.170465D+02
      4   0.204301D+01  0.643440D+01 -0.153140D+02  0.335973D+02 -0.222634D+02
      5   0.446778D+02 -0.138729D+02 -0.177080D+02 -0.168680D+02  0.775095D+01
      6  -0.205925D+01 -0.346637D+01  0.140781D+02  0.620480D+01 -0.121798D+01
               111           112           113           114           115 
      1  -0.813035D+01  0.338456D+02 -0.140840D+02  0.372899D+01  0.357209D+02
      2   0.352974D+01 -0.886313D+01  0.971307D+01 -0.253583D+01 -0.250902D+02
      3   0.460061D+01 -0.249824D+02  0.437091D+01 -0.119316D+01 -0.106306D+02
      4   0.473663D+01 -0.521171D+01  0.220269D+02  0.902732D+00 -0.285425D+01
      5  -0.488973D+01  0.141279D+02 -0.107933D+01  0.338556D+01  0.330118D+02
      6   0.346910D+01 -0.182597D+01  0.306186D+01  0.931455D+00 -0.429002D+01
               116           117           118           119           120 
      1   0.324073D+00  0.304121D+02 -0.417802D+01  0.663468D+01  0.146856D+01
      2   0.142819D+01 -0.763745D+01  0.777951D+01 -0.143356D+01 -0.638996D+00
      3  -0.175226D+01 -0.227746D+02 -0.360149D+01 -0.520112D+01 -0.829560D+00
      4   0.332392D+01 -0.665063D+01  0.123790D+02  0.107999D+02 -0.967793D+00
      5  -0.655745D+01  0.685822D+01  0.456328D+00 -0.134644D+01  0.761999D+01
      6  -0.351518D+01 -0.337543D+01 -0.139590D+01 -0.100771D+01  0.133766D+00
               121           122           123           124           125 
      1   0.102125D+02 -0.131126D+02  0.312803D+01  0.331586D+01 -0.230296D+00
      2   0.931159D-01  0.275394D+02 -0.181528D+01 -0.184947D+01  0.179331D+01
      3  -0.103057D+02 -0.144268D+02 -0.131275D+01 -0.146639D+01 -0.156301D+01
      4   0.189420D+02  0.499029D+02 -0.245922D+01 -0.970074D-01  0.215703D+00
      5  -0.637105D+00 -0.223970D+01  0.106101D+02  0.960862D+01  0.553689D+01
      6  -0.172073D+01 -0.672603D+01  0.448369D+01  0.171486D+01  0.561466D+01
               126           127           128           129           130 
      1   0.851207D+00  0.114694D+03  0.112370D+02 -0.205660D+02  0.210757D+02
      2  -0.145623D+00 -0.686316D+02 -0.537101D+01  0.177244D+02 -0.117888D+02
      3  -0.705584D+00 -0.460622D+02 -0.586603D+01  0.284156D+01 -0.928695D+01
      4   0.592769D+01  0.176941D+02  0.138936D+02 -0.328224D+01  0.192472D+02
      5  -0.202514D+01 -0.629547D+02 -0.511322D+01  0.282865D+02 -0.137171D+02
      6  -0.731261D+00 -0.738214D+01 -0.526341D+01  0.157377D+01 -0.681853D+01
               131           132           133           134           135 
      1   0.998542D+01 -0.239823D+01 -0.670657D+01  0.603052D+00  0.701578D+01
      2  -0.428390D+01  0.428283D+01  0.718632D+01  0.134631D+01 -0.697741D+01
      3  -0.570152D+01 -0.188461D+01 -0.479748D+00 -0.194936D+01 -0.383728D-01
      4   0.351859D+01 -0.536217D+01 -0.983449D+00 -0.190834D+01  0.375627D+01
      5  -0.709698D+01  0.826892D+01  0.160605D+02  0.351498D+01 -0.733884D+01
      6  -0.715039D+00  0.350683D+01  0.155697D+01  0.150114D+01 -0.206504D+01
               136           137           138           139           140 
      1  -0.431102D+01  0.716087D+01 -0.218882D+02  0.792745D+01 -0.102138D+02
      2  -0.141582D+01 -0.155018D+01 -0.146980D+01 -0.500290D+01  0.186079D+01
      3   0.572684D+01 -0.561069D+01  0.233580D+02 -0.292455D+01  0.835305D+01
      4   0.372015D+01 -0.377067D+01  0.282703D+01  0.136752D+01  0.440212D+01
      5  -0.187046D+01  0.124407D+00 -0.109358D+02 -0.590830D+01 -0.791065D+01
      6  -0.324349D+01  0.448089D+01 -0.439622D+01  0.339778D-01 -0.614810D+01
               141           142           143           144           145 
      1   0.123016D+02 -0.843480D+01  0.822038D+01 -0.375134D+02  0.718250D+01
      2   0.350572D+01  0.242307D+01  0.231124D+01 -0.124430D+02 -0.205751D+01
      3  -0.158073D+02  0.601173D+01 -0.105316D+02  0.499564D+02 -0.512498D+01
      4  -0.107777D+02 -0.761710D+00 -0.836974D+01  0.116652D+02 -0.503251D+01
      5   0.161493D+02  0.469508D+01  0.871758D+01 -0.365705D+02 -0.423337D+01
      6   0.119117D+02 -0.856116D-01  0.897143D+01 -0.122994D+02  0.236860D+01
               146           147           148           149           150 
      1  -0.524326D+01 -0.544210D+01 -0.110511D+02 -0.998218D+01 -0.289382D+01
      2   0.271521D+01  0.533461D+00  0.681109D+01  0.133725D+02 -0.235645D+01
      3   0.252805D+01  0.490864D+01  0.423997D+01 -0.339034D+01  0.525027D+01
      4   0.332941D+01  0.905942D+00  0.112475D+02 -0.471146D+02 -0.132240D+02
      5   0.250147D+01 -0.120824D+01  0.122714D+02 -0.122205D+02 -0.153603D+02
      6  -0.751347D-01  0.361638D-01 -0.444789D+01  0.260638D+02  0.109709D+02
               151           152           153           154           155 
      1  -0.498132D+00 -0.227516D+01 -0.683395D+01  0.195990D+03 -0.309803D+02
      2  -0.528005D+00 -0.442255D+00  0.112970D+01 -0.919959D+02  0.982731D+01
      3   0.102614D+01  0.271742D+01  0.570425D+01 -0.103994D+03  0.211530D+02
      4   0.171389D+01 -0.552454D+01 -0.574839D+01 -0.433646D+02  0.395830D+02
      5   0.428849D+00 -0.568710D+01 -0.354003D+01  0.346624D+02 -0.697097D+01
      6  -0.146115D+01  0.752436D+01  0.368479D+01 -0.529760D+01  0.446150D+01
               156           157           158           159           160 
      1   0.744742D+01 -0.427033D+02  0.352691D+02 -0.141743D+01  0.635365D+01
      2  -0.871149D+01  0.143644D+02 -0.949747D+01  0.217980D+01 -0.728682D+01
      3   0.126408D+01  0.283389D+02 -0.257717D+02 -0.762372D+00  0.933175D+00
      4  -0.327699D+01  0.550091D+02 -0.384227D+02  0.278028D+01 -0.280872D+01
      5   0.377002D+02 -0.106124D+02  0.776813D+01 -0.128513D+02  0.340540D+02
      6  -0.204867D+01  0.945485D+01 -0.655387D+01  0.563750D+01 -0.421780D+01
               161           162           163           164           165 
      1  -0.631696D+00  0.183464D+02  0.582844D+02 -0.103207D+02  0.159278D+02
      2   0.101471D+01 -0.127184D+02 -0.416185D+02  0.420143D+01 -0.113265D+02
      3  -0.383011D+00 -0.562799D+01 -0.166660D+02  0.611931D+01 -0.460128D+01
      4   0.738544D+00 -0.740373D+01 -0.107725D+02  0.844575D+01  0.148238D+01
      5  -0.844679D+01  0.436838D+01  0.383679D+02 -0.834583D+00  0.205947D+02
      6   0.504678D+01 -0.174476D+01 -0.354085D+01  0.170531D+01  0.115354D+01
               166           167           168           169           170 
      1  -0.198429D+02 -0.557634D+01  0.129695D+00 -0.843384D+01  0.821019D+00
      2   0.112740D+02  0.900722D+00  0.114762D+01  0.949996D+00 -0.123693D+01
      3   0.856893D+01  0.467562D+01 -0.127732D+01  0.748384D+01  0.415908D+00
      4   0.757475D+01  0.916658D+00  0.113367D+02  0.537898D+01  0.481318D+01
      5  -0.917701D+01  0.115627D+02 -0.368089D+01  0.149263D+02  0.409731D+01
      6   0.193018D+01  0.510853D+00  0.118124D+02  0.312687D+01  0.107749D+02
               171           172           173           174           175 
      1  -0.351029D+02 -0.516545D+02  0.816906D+01  0.685669D+01  0.156148D+02
      2  -0.135157D+02  0.334279D+02 -0.384855D+01  0.642321D+01 -0.106407D+02
      3   0.486186D+02  0.182266D+02 -0.432051D+01 -0.132799D+02 -0.497406D+01
      4   0.673320D+01  0.753423D+01 -0.493174D+01 -0.140418D+01 -0.105857D+01
      5   0.459296D+02 -0.289164D+02  0.113474D+01 -0.175182D+02  0.791047D+01
      6   0.430044D+01  0.286569D+01 -0.397533D+01 -0.226943D+01 -0.769137D+00
               176           177           178           179           180 
      1  -0.721942D+01 -0.220484D+01 -0.106165D+02  0.252710D+00 -0.109439D+02
      2   0.408626D+01 -0.143455D+01  0.136142D+02 -0.702805D+00  0.553276D+01
      3   0.313317D+01  0.363939D+01 -0.299770D+01  0.450095D+00  0.541111D+01
      4   0.276098D+01  0.370875D+01  0.248710D+01 -0.887825D-01  0.137429D+01
      5   0.221017D+01  0.591687D+01 -0.136217D+02  0.105290D+01 -0.301682D+01
      6   0.280968D+01  0.417188D+01 -0.104187D+01  0.133052D+01  0.103700D+01
               181           182           183           184           185 
      1   0.307536D+02  0.488627D+02  0.354946D+00 -0.417295D+02  0.133485D+02
      2  -0.149861D+02 -0.409343D+02 -0.150631D+00  0.328850D+02 -0.196716D+02
      3  -0.157674D+02 -0.792840D+01 -0.204316D+00  0.884454D+01  0.632311D+01
      4   0.224412D+01  0.376978D+02 -0.283031D+01 -0.396926D+01  0.355330D+02
      5   0.553253D+01 -0.568430D+01  0.116345D+02  0.244239D+00  0.179443D+01
      6  -0.407254D+01  0.216831D+01 -0.790744D+01  0.134377D+01 -0.173711D+01
               186           187           188           189           190 
      1   0.212945D+01  0.131875D+01 -0.654739D+01  0.607654D+01  0.109768D+03
      2  -0.220501D+01  0.124595D+01  0.342950D+01 -0.782484D+01 -0.533355D+02
      3   0.755588D-01 -0.256470D+01  0.311789D+01  0.174831D+01 -0.564321D+02
      4   0.180954D+01 -0.532644D+01 -0.185791D+00 -0.248012D+02  0.885208D+01
      5  -0.629505D+01  0.363724D+02 -0.203783D+02 -0.362183D+01  0.325944D+01
      6   0.283325D+01 -0.246592D+02  0.138732D+02  0.359774D+01 -0.164453D+01
               191           192           193           194           195 
      1  -0.288212D+00 -0.595419D+01 -0.409858D+02 -0.383218D+02  0.133018D+01
      2  -0.115387D+02  0.106650D+01  0.744031D+01  0.421247D+02  0.918618D+00
      3   0.118270D+02  0.488770D+01  0.335455D+02 -0.380286D+01 -0.224880D+01
      4   0.220585D+02 -0.215021D+00 -0.410368D+02 -0.611741D+02  0.181396D+01
      5   0.626722D+00  0.105479D+01 -0.101782D+01  0.410441D+00 -0.252315D+01
      6   0.100007D+01 -0.277072D+01  0.302881D+01  0.664427D+00 -0.532654D+01
               196           197           198           199           200 
      1  -0.172626D+01 -0.210095D+01  0.244336D+02 -0.110461D+03 -0.209321D+02
      2   0.903794D+00  0.251111D+01 -0.216898D+02  0.379765D+02  0.222135D+02
      3   0.822463D+00 -0.410160D+00 -0.274376D+01  0.724847D+02 -0.128142D+01
      4  -0.309305D+01 -0.285237D+01 -0.987012D-01 -0.323024D+02 -0.317833D+02
      5   0.509119D+02 -0.504190D+01 -0.369456D+01  0.255431D+01  0.311671D+01
      6  -0.134363D+01  0.296868D+01 -0.388605D+00  0.412196D+01  0.778580D+00
               201           202           203           204           205 
      1   0.660931D+01  0.806566D+02  0.179231D+02 -0.408905D+01  0.996681D+01
      2  -0.252630D+01 -0.470625D+02 -0.251953D+02  0.205631D+01 -0.445184D+01
      3  -0.408301D+01 -0.335941D+02  0.727220D+01  0.203274D+01 -0.551497D+01
      4   0.329985D+01  0.286739D+02  0.209375D+02 -0.189219D+01  0.529960D+01
      5   0.574695D+01 -0.163451D+01 -0.689074D+00  0.102394D+02  0.144717D+01
      6   0.568629D+00 -0.209195D+01 -0.675264D+00  0.660277D+01  0.296335D+01
               206           207           208           209           210 
      1   0.507075D+01 -0.167898D+02  0.414384D+02 -0.666983D+01 -0.469973D+00
      2  -0.400460D+01 -0.759758D+00 -0.265037D+02  0.642913D+01  0.217943D+01
      3  -0.106615D+01  0.175495D+02 -0.149346D+02  0.240692D+00 -0.170946D+01
      4   0.311060D+01  0.178617D+02 -0.145961D+02  0.849697D+01  0.435658D+00
      5   0.224260D+02  0.333036D+01 -0.441658D+01 -0.446989D-01  0.212396D+02
      6   0.107559D+02 -0.195516D+00  0.879152D+00 -0.134275D+01  0.312281D+01
               211           212           213           214           215 
      1  -0.119163D+02  0.780166D+01  0.310066D+01 -0.996905D+00 -0.140308D+00
      2   0.789522D+01 -0.448544D+01 -0.145183D+01  0.194488D+01 -0.616602D+00
      3   0.402110D+01 -0.331622D+01 -0.164883D+01 -0.947973D+00  0.756910D+00
      4   0.336662D+02 -0.152604D+02 -0.195134D+01  0.101369D+01 -0.446801D+00
      5   0.250731D+01 -0.453257D+00  0.149185D+02  0.140871D+02 -0.544353D+01
      6  -0.686981D+00  0.200107D+00  0.120920D+02 -0.147723D+01  0.390613D+01
               216           217           218           219           220 
      1   0.509717D+01 -0.867711D+02 -0.530629D+00  0.123479D+02  0.132146D+02
      2  -0.390980D+01  0.496322D+02  0.401593D+01 -0.678171D+01 -0.394370D+01
      3  -0.118738D+01  0.371390D+02 -0.348530D+01 -0.556621D+01 -0.927092D+01
      4  -0.654052D+01  0.611159D+01  0.262609D+02 -0.297943D+01 -0.723205D+01
      5  -0.323653D+01  0.110709D+02 -0.326240D+01  0.182395D+02 -0.620145D+01
      6   0.512134D+00  0.322054D+00 -0.260628D+01  0.764154D+01 -0.181203D+01
               221           222           223           224           225 
      1   0.152077D+02 -0.100269D+02  0.895790D+01 -0.624255D+01  0.231442D+02
      2  -0.742162D+01  0.329540D+01 -0.526998D+01  0.207727D+01 -0.181269D+02
      3  -0.778609D+01  0.673154D+01 -0.368793D+01  0.416529D+01 -0.501726D+01
      4   0.123763D+01  0.314420D+00 -0.485106D+01 -0.222836D+01 -0.394956D+02
      5  -0.384469D-01 -0.627632D+02 -0.898298D+01 -0.423218D+02 -0.732206D+01
      6   0.130059D+01 -0.262617D+02 -0.970299D+01 -0.200201D+02  0.194693D+00
               226           227           228           229           230 
      1  -0.638006D+01 -0.153713D+02  0.423691D+00 -0.445975D+01 -0.574695D+02
      2   0.792840D+01  0.168716D+02 -0.238955D+00  0.444679D+01  0.758291D+02
      3  -0.154834D+01 -0.150025D+01 -0.184736D+00  0.129568D-01 -0.183596D+02
      4   0.541717D+00  0.521177D+01  0.234514D+00  0.352319D+01 -0.225456D+02
      5   0.373858D+00  0.656120D+00  0.912743D+00  0.611805D-01  0.209900D+01
      6  -0.289149D+00 -0.822222D+00  0.186061D+01  0.163742D+00 -0.100756D+01
               231           232           233           234           235 
      1  -0.619483D+00  0.703942D+00  0.114648D+00 -0.144698D+01  0.373178D+02
      2   0.731737D+00 -0.477387D+00  0.193706D+00  0.220342D+01 -0.721213D+01
      3  -0.112254D+00 -0.226555D+00 -0.308355D+00 -0.756439D+00 -0.301057D+02
      4  -0.195007D-02 -0.182288D-01 -0.671343D+00  0.749717D+00 -0.539578D+02
      5  -0.202835D+01  0.220292D+01  0.270525D+00 -0.190487D+00 -0.358366D+01
      6   0.758908D+01 -0.613060D+00  0.383672D+01  0.585020D-01  0.279325D+01
               236           237           238           239           240 
      1  -0.195732D+02 -0.254657D+01 -0.178745D+02  0.901127D+01  0.795627D+00
      2  -0.160309D+01  0.661198D+00 -0.810066D+01  0.166135D+02  0.914412D+00
      3   0.211763D+02  0.188537D+01  0.259751D+02 -0.256248D+02 -0.171004D+01
      4   0.429003D+02  0.441098D+01  0.512350D+02 -0.564916D+02 -0.454316D+01
      5   0.225840D+01  0.683175D+01  0.231122D+01 -0.205997D+01 -0.662285D+01
      6  -0.207060D+01 -0.391844D+01 -0.239496D+01  0.290393D+01  0.551058D+01
               241           242           243           244           245 
      1  -0.346720D+01  0.144849D+01 -0.727083D-01  0.902530D+01  0.101504D+02
      2   0.570258D+00  0.446767D+00  0.115983D+01 -0.225288D+01 -0.317024D+01
      3   0.289695D+01 -0.189526D+01 -0.108712D+01 -0.677243D+01 -0.698013D+01
      4   0.543071D+01 -0.451269D+01 -0.446207D+01  0.161355D+02  0.135567D+02
      5   0.723170D+00 -0.330930D+01 -0.105819D+01 -0.232316D+00 -0.415025D+00
      6   0.113416D+00  0.320796D+01  0.718138D+00 -0.143622D+00 -0.403843D+00
               246           247           248           249           250 
      1  -0.453868D+00  0.991993D+01 -0.708672D+01 -0.557470D+00 -0.417530D+00
      2   0.245065D+00  0.178582D+01  0.200289D+02  0.261101D-01  0.257230D+00
      3   0.208803D+00 -0.117058D+02 -0.129422D+02  0.531360D+00  0.160300D+00
      4  -0.899222D+00  0.247669D+02  0.406810D+02 -0.583210D+00 -0.633834D+00
      5   0.105451D+01  0.162530D+00  0.146975D+01  0.371012D+01  0.539542D+00
      6   0.369001D+00 -0.300401D-01  0.159214D+00  0.420861D+01  0.168415D+01
               251           252           253           254           255 
      1  -0.112976D+01 -0.150603D+01  0.311807D+01  0.362239D+01  0.891761D+01
      2   0.651141D+00  0.215673D+01 -0.169051D+01 -0.328024D+01 -0.422695D+01
      3   0.478623D+00 -0.650701D+00 -0.142756D+01 -0.342152D+00 -0.469067D+01
      4  -0.464642D-01  0.227481D+00 -0.189284D+01 -0.422214D+01  0.191181D+01
      5  -0.698133D+00  0.410269D-01  0.687444D+01  0.375585D+00 -0.675825D+01
      6   0.159050D+01  0.526479D-01  0.224960D+01 -0.579410D+00 -0.408893D+01
               256           257           258           259           260 
      1   0.612867D+01 -0.501231D+00 -0.815919D-01  0.278845D+02  0.639029D+01
      2   0.603754D+00  0.822595D+01  0.506947D+01 -0.127093D+02  0.123268D+01
      3  -0.673242D+01 -0.772472D+01 -0.498788D+01 -0.151752D+02 -0.762298D+01
      4   0.220354D+02  0.292073D+02  0.203374D+02  0.282695D+02  0.279366D+02
      5   0.132930D+02  0.212709D+02  0.259642D+02  0.261571D+02  0.291416D+02
      6   0.598963D+01  0.104244D+02  0.128364D+02  0.109715D+02  0.143124D+02
               261           262           263           264           265 
      1  -0.440027D+01  0.204655D+03  0.137775D+02 -0.129369D+02 -0.117666D+02
      2   0.597815D+00 -0.105955D+03 -0.443005D+01  0.755442D+01  0.940063D+01
      3   0.380246D+01 -0.987001D+02 -0.934740D+01  0.538245D+01  0.236599D+01
      4   0.272586D+02  0.372503D+02  0.179977D+02 -0.228666D+01  0.172643D+02
      5   0.511522D+02 -0.154494D+02 -0.965556D+00  0.175507D+02  0.781396D+00
      6   0.186909D+02 -0.222924D+01 -0.778819D+00  0.286289D+01 -0.742067D+00
               266           267           268           269           270 
      1   0.151245D+02  0.116296D+01 -0.134498D+02 -0.410936D+00  0.147942D+02
      2  -0.747046D+01 -0.885111D+00  0.812609D+01  0.112537D+00 -0.836774D+01
      3  -0.765402D+01 -0.277850D+00  0.532373D+01  0.298399D+00 -0.642642D+01
      4  -0.598940D+00 -0.145673D+01 -0.250331D+01 -0.155878D+01  0.611351D+01
      5  -0.164849D+01  0.116452D+01  0.230099D+02  0.516951D+01 -0.415580D+01
      6  -0.140899D+00  0.194305D+01  0.331606D+01  0.292665D+01 -0.715629D+00
               271           272           273           274           275 
      1  -0.479977D+01  0.403896D+01 -0.124557D+02  0.441513D+01 -0.664368D+01
      2   0.171328D+01 -0.425240D+01  0.546234D+01  0.162471D+00  0.109244D+02
      3   0.308649D+01  0.213438D+00  0.699336D+01 -0.457760D+01 -0.428075D+01
      4  -0.618172D+01 -0.857435D+01  0.262171D+01  0.188585D+02  0.301075D+02
      5  -0.493651D+01  0.381182D+01 -0.117404D+02 -0.100304D+02 -0.215179D+02
      6  -0.124669D+01  0.372424D+01 -0.685249D+01 -0.570327D+01 -0.135516D+02
               276           277           278           279 
      1   0.688724D+01 -0.221646D+02  0.143062D+01 -0.120340D+02
      2  -0.737830D+01  0.107995D+02 -0.330529D+01  0.203307D+01
      3   0.491064D+00  0.113652D+02  0.187466D+01  0.100009D+02
      4  -0.220000D+02 -0.210450D+02 -0.253043D+02  0.275859D+02
      5   0.270331D+02  0.210333D+02  0.285401D+02 -0.451805D+02
      6   0.153321D+02  0.995562D+01  0.162713D+02 -0.203683D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x         -0.205154D+01     -0.521450D+01     -0.173937D+02
   y          0.144099D+00      0.366262D+00      0.122172D+01
   z         -0.612924D+00     -0.155790D+01     -0.519659D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.276001D+03      0.408992D+02      0.455064D+02
   yx        -0.698195D+01     -0.103462D+01     -0.115117D+01
   yy         0.160135D+03      0.237295D+02      0.264027D+02
   zx        -0.123091D+02     -0.182402D+01     -0.202950D+01
   zy         0.186296D+01      0.276062D+00      0.307160D+00
   zz         0.111988D+03      0.165950D+02      0.184644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.201211D+03      0.298163D+02      0.331751D+02
   aniso      0.173080D+03      0.256478D+02      0.285371D+02
   xx         0.310669D+03      0.460364D+02      0.512224D+02
   yx        -0.949668D+01     -0.140726D+01     -0.156579D+01
   yy         0.173312D+03      0.256822D+02      0.285753D+02
   zx        -0.135994D+02     -0.201522D+01     -0.224223D+01
   zy         0.217342D+01      0.322068D+00      0.358349D+00
   zz         0.119651D+03      0.177304D+02      0.197278D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.03032674         -1.53614494          1.45802895
     6         -0.40686792          1.05294070          2.08052490
     6          0.95071921         -2.16942227         -0.94391014
     6          1.56147538         -0.34883026         -2.69474968
     6          1.17261553          2.22295217         -2.05924791
     6          0.22112581          2.89897364          0.24835520
     6         -0.65580265         -3.38986757          3.28590797
     1          1.23874679         -4.14909030         -1.39057990
     1          1.62299653          3.67164593         -3.43253394
     1         -0.06928446          4.87477777          0.69757010
     6          2.60160473         -1.04665650         -5.26557781
     6          5.24877169          0.00121637         -5.75082758
     6          0.78413516         -0.31236429         -7.40329264
     1          2.69186496         -3.11401840         -5.35506871
     1          5.92502113         -0.58313216         -7.60297792
     1          6.54856874         -0.68060275         -4.30563665
     1          5.24985530          2.06014458         -5.70638795
     8          1.43746567          0.48096423         -9.41985170
     8         -1.69427245         -0.70880413         -6.91155730
     1         -1.90436302         -1.18749399         -5.15579427
     6         -1.60012769         -2.72130192          5.59007984
     6         -1.97609214         -0.14231789          6.20340013
     6         -1.38977477          1.71170793          4.47952416
     8         -2.92573118          0.27526873          8.54876791
     6         -3.36036901          2.80971306          9.30335281
     1         -0.37339857         -5.36526026          2.83054391
     1         -2.08274661         -4.12406193          6.99611429
     1         -1.66152977          3.68837255          4.90971004
     1         -1.60454181          3.90001390          9.30839808
     1         -4.11262685          2.71296143         11.21217472
     1         -4.73479231          3.73273743          8.06617871

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.214599D+01      0.545456D+01      0.181945D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.132243D+03      0.195964D+02      0.218040D+02
   yx        -0.131450D+01     -0.194788D+00     -0.216731D+00
   yy         0.159679D+03      0.236619D+02      0.263274D+02
   zx        -0.553526D+02     -0.820242D+01     -0.912642D+01
   zy        -0.246433D+01     -0.365176D+00     -0.406313D+00
   zz         0.256202D+03      0.379653D+02      0.422421D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.201211D+03      0.298163D+02      0.331751D+02
   aniso      0.173080D+03      0.256478D+02      0.285371D+02
   xx         0.142788D+03      0.211590D+02      0.235426D+02
   yx        -0.989763D+00     -0.146668D+00     -0.163190D+00
   yy         0.172667D+03      0.255866D+02      0.284689D+02
   zx        -0.638241D+02     -0.945775D+01     -0.105232D+02
   zy        -0.394570D+01     -0.584692D+00     -0.650558D+00
   zz         0.288177D+03      0.427034D+02      0.475139D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-26\Freq\RB3LYP\Gen\C14H14O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-0.70165,0.861049,-0.150441\C,-1.142583,-0.492061,-0.1460
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 NOTHING WILL BE ATTEMPTED IF ALL POSSIBLE OBJECTIONS
 MUST FIRST BE OVERCOME.

                               -- THE GOLDEN PRINCIPLE,
                    PAUL DICKSON'S "THE OFFICIAL RULES"
 Job cpu time:       0 days  6 hours  7 minutes 32.4 seconds.
 Elapsed time:       0 days  0 hours 46 minutes  4.1 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:28:57 2021.
